- InChI
- InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3
- InChI Key
- YKOLZVXSPGIIBJ-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CC(C)c1ccccc1N
- Molecular Weight1
- 135.21
- CAS
- 643-28-7
- Other Names
-
- 1-Amino-2-isopropylbenzene
- 2-(1-Methylethyl)benzenamine
- 2-Aminoisopropylbenzene
- 2-Isopropylaniline
- Aniline, o-isopropyl-
- o-Aminocumene
- o-Aminoisopropylbenzene
- o-Cumidine
- o-Isopropylaniline
- ω : Acentric Factor.
- 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).
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4611 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.80 ± 0.90 | kJ/mol | NIST |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.392 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Tboil | 493.60 | K | Relay (1.0) Calculated Property |
| Tc | 717.87 | K | Relay (1.0) Calculated Property |
| Tfus | 255.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.79; 344.26] | J/mol×K | [509.07; 734.84] | 
|
| Cp,gas | 271.79 | J/mol×K | 509.07 | Joback Calculated Property |
| Cp,gas | 285.89 | J/mol×K | 546.70 | Joback Calculated Property |
| Cp,gas | 299.13 | J/mol×K | 584.33 | Joback Calculated Property |
| Cp,gas | 311.56 | J/mol×K | 621.96 | Joback Calculated Property |
| Cp,gas | 323.20 | J/mol×K | 659.58 | Joback Calculated Property |
| Cp,gas | 334.09 | J/mol×K | 697.21 | Joback Calculated Property |
| Cp,gas | 344.26 | J/mol×K | 734.84 | Joback Calculated Property |
| ΔvapH | 61.30 ± 0.90 | kJ/mol | 306.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [370.32; 533.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43022e+01 | |||
| Coefficient B | -4.08941e+03 | |||
| Coefficient C | -7.85240e+01 | |||
| Temperature range, min. | 370.32 | |||
| Temperature range, max. | 533.37 | |||
| Pvap | 1.33 | kPa | 370.32 | Calculated Property |
| Pvap | 3.02 | kPa | 388.44 | Calculated Property |
| Pvap | 6.27 | kPa | 406.55 | Calculated Property |
| Pvap | 12.04 | kPa | 424.67 | Calculated Property |
| Pvap | 21.66 | kPa | 442.79 | Calculated Property |
| Pvap | 36.88 | kPa | 460.90 | Calculated Property |
| Pvap | 59.82 | kPa | 479.02 | Calculated Property |
| Pvap | 93.06 | kPa | 497.14 | Calculated Property |
| Pvap | 139.56 | kPa | 515.25 | Calculated Property |
| Pvap | 202.64 | kPa | 533.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2-(1-methylethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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