- InChI
- InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
- InChI Key
- VIUDTWATMPPKEL-UHFFFAOYSA-N
- Formula
- C7H6F3N
- SMILES
- Nc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 161.12
- CAS
- 98-16-8
- Other Names
-
- 1-Amino-3-(trifluoromethyl)benzene
- 3-(Trifluoromethyl)aniline
- 3-(Trifluoromethyl)benzenamine
- 3-Aminobenzotrifluoride
- 3-Trifluromethylaniline
- NSC 4540
- Toluene, 3-amino-«alpha»,«alpha»,«alpha»-trifluoro-,
- Toluene, 3-amino-«alpha»,«alpha»,«alpha»-trifluoro-,
- UN 2948
- USAF ma-4
- m-(Trifluoromethyl)aniline
- m-Abtf
- m-Amino-«alpha»,«alpha»,«alpha»-trifluorotoluene
- m-Amino-«alpha»,«alpha»,«alpha»-trifluorotoluene
- m-Aminobenzal fluoride
- m-Aminobenzotrifluoride
- m-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-
- m-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-
- «alpha»,«alpha»,«alpha»-Trifluoro-m-toluidine
- «alpha»,«alpha»,«alpha»-Trifluoro-m-toluidine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 856.90 | kJ/mol | NIST |
| BasG | 825.10 | kJ/mol | NIST |
| ΔcH°liquid | [-3476.70; -3455.00] | kJ/mol |
|
| ΔcH°liquid | -3476.70 | kJ/mol | NIST |
| ΔcH°liquid | -3455.00 | kJ/mol | NIST |
| ΔfG° | -404.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.04 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -686.01 | kJ/mol | NIST |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.01 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Aq. Sol... | |
| logPoct/wat | 2.288 | Crippen Calculated Property | |
| McVol | 101.020 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Inp | [1017.60; 1017.60] |
|
|
| Inp | 1017.60 | NIST | |
| Inp | 1017.60 | NIST | |
| Tboil | [459.50; 460.20] | K |
|
| Tboil | 460.20 | K | NIST |
| Tboil | 459.50 ± 0.50 | K | NIST |
| Tc | 664.73 | K | Joback Calculated Property |
| Tfus | 278.90 | K | Aq. Sol... |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.15; 269.98] | J/mol×K | [458.33; 664.73] |
|
| Cp,gas | 216.15 | J/mol×K | 458.33 | Joback Calculated Property |
| Cp,gas | 226.94 | J/mol×K | 492.73 | Joback Calculated Property |
| Cp,gas | 236.95 | J/mol×K | 527.13 | Joback Calculated Property |
| Cp,gas | 246.21 | J/mol×K | 561.53 | Joback Calculated Property |
| Cp,gas | 254.78 | J/mol×K | 595.93 | Joback Calculated Property |
| Cp,gas | 262.69 | J/mol×K | 630.33 | Joback Calculated Property |
| Cp,gas | 269.98 | J/mol×K | 664.73 | Joback Calculated Property |
| ΔvapH | 53.10 | kJ/mol | 399.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.80 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.72; 202.63] | kPa | [334.00; 488.54] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46024e+01 | |||
| Coefficient B | -3.79975e+03 | |||
| Coefficient C | -7.95700e+01 | |||
| Temperature range, min. | 334.00 | |||
| Temperature range, max. | 488.54 | |||
| Pvap | 0.72 | kPa | 334.00 | Calculated Property |
| Pvap | 1.84 | kPa | 351.17 | Calculated Property |
| Pvap | 4.24 | kPa | 368.34 | Calculated Property |
| Pvap | 8.87 | kPa | 385.51 | Calculated Property |
| Pvap | 17.16 | kPa | 402.68 | Calculated Property |
| Pvap | 31.06 | kPa | 419.86 | Calculated Property |
| Pvap | 53.12 | kPa | 437.03 | Calculated Property |
| Pvap | 86.46 | kPa | 454.20 | Calculated Property |
| Pvap | 134.86 | kPa | 471.37 | Calculated Property |
| Pvap | 202.63 | kPa | 488.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 3-(trifluoromethyl)-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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