3-nitrobenzotrifluoride (CAS 98-46-4) – Thermophysical Properties

This page provides thermophysical, transport, safety, and environmental property data for 3-nitrobenzotrifluoride, along with a property calculator for evaluating values at user-defined temperature and pressure conditions.

Input Conditions

Enter a pure component, temperature, and pressure.

Results

Calculated properties for the given state will appear here.

3-nitrobenzotrifluoride

Identification

AtomsC: 7, F: 3, H: 4, N: 1, O: 2
CAS98-46-4
FormulaC7H4F3NO2
ID3-nitrobenzotrifluoride
InChIC7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChI KeyWHNAMGUAXHGCHH-UHFFFAOYSA-N
IUPAC Name1-nitro-3-(trifluoromethyl)benzene
Molecular Weight (kg/kmol)191.107
Phasel
PubChem ID7386
SMILESC1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
Synonyms

Physical Properties

Acentric factor0.536
Critical pressure (bar)28
Critical temperature (°C)393.85
Critical volume (m³/kmol)0.46
Dipole moment
Melting temperature (°C)-3.7
Normal boiling temperature (°C)202.8

State-dependent Properties

API gravity-22.191
Compressibility factor0.00607838
Density (kg/m³)1285.1
Dynamic viscosity (cP)0.650173
Joule–Thomson coefficient-5.5408e-7
Kinematic viscosity5.0593e-7
Molar enthalpy (kJ/kmol)0
Molar enthalpy of vaporization (kJ/kmol)5.9204e+4
Molar entropy (kJ/(kmol·K))0
Molar Gibbs free energy (kJ/kmol)0
Molar heat capacity (kJ/(kmol·K))214.117
Molar volume (m³/kmol)0.14871
Parachor6.4447e-5
Poynting correction factor1.00609
Prandtl number6.10971
Saturation pressure (bar)3.8720e-4
Saturation temperature (°C)202.746
Solubility parameter1.9531e+4
Specific enthalpy (kJ)0
Specific enthalpy of vaporization (kJ)309.795
Specific entropy (kJ/kg·K)0
Specific Gibbs free energy (kJ)0
Specific gravity1.28637
Specific heat capacity (kJ/kg·K)1.1204
Surface tension0.0344237
Thermal conductivity (W/m·K)0.119229
Thermal diffusivity8.2808e-8

Safety Properties

Autoignition temperature (°C)-273.15
Flash point temperature (°C)84.2862
Lower flammability limit0.0160256
Upper flammability limit0.101981

Environmental Properties

Global warming potential
Ozone depletion potential

About This Property Calculator

This tool provides a comprehensive set of thermophysical, safety, and environmental properties for 3-nitrobenzotrifluoride. By default, the state-dependent properties like density, viscosity, and heat capacity are calculated at standard conditions of 25 °C (298.15 K) and 1 atm (101325 Pa).

How to Calculate Properties at Different Conditions

You can use the interactive calculator above to compute properties at your desired temperature and pressure. Simply enter your target values in the input fields and click the "Calculate Properties" button. The results table will update with the new values.

For example, to find the density of liquid 3-nitrobenzotrifluoride at 50 °C and 2 bar, you would:

  1. Select your preferred unit system (e.g., Metric).
  2. Enter "50" into the Temperature field.
  3. Enter "2" into the Pressure field.
  4. Click "Calculate Properties."

The calculator will then display the updated density and other state-dependent properties for these specific conditions. This functionality is essential for process design, equipment sizing, and safety analysis in chemical engineering.

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