- InChI
- InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
- InChI Key
- LRTFPLFDLJYEKT-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CC(C)c1ccc(N)cc1
- Molecular Weight1
- 135.21
- CAS
- 99-88-7
- Other Names
-
- 1-Amino-4-isopropylbenzene
- 4-(2-Propyl)aniline
- 4-Amino-1-isopropylbenzene
- 4-Aminocumene
- 4-Isopropylaniline
- Aniline, p-isopropyl-
- Benzenamine, 4-(1-methylethyl)-
- Cumene, p-amino-
- NSC 7198
- p-Cumidine
- p-Isopropylaniline
- «beta»-(4-Aminophenyl)propane
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4810 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 ± 0.10 | eV | NIST |
| log10WS | -2.35 | 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 |
| Inp | 1200.00 | NIST | |
| Tboil | 498.20 | K | NIST |
| Tc | 726.76 | K | Relay (1.0) Calculated Property |
| Tfus | 210.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 57.50 | kJ/mol | 416.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 499.70 | K | 99.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.76; 398.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.00900e+01 | |||
| Coefficient B | 7.88240e-01 | |||
| Coefficient C | -4.76560e-04 | |||
| Coefficient D | 1.07000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 203.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 241.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 274.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 303.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 398.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [373.52; 528.69] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48264e+01 | |||
| Coefficient B | -4.27271e+03 | |||
| Coefficient C | -7.96360e+01 | |||
| Temperature range, min. | 373.52 | |||
| Temperature range, max. | 528.69 | |||
| Pvap | 1.33 | kPa | 373.52 | Calculated Property |
| Pvap | 2.98 | kPa | 390.76 | Calculated Property |
| Pvap | 6.14 | kPa | 408.00 | Calculated Property |
| Pvap | 11.75 | kPa | 425.24 | Calculated Property |
| Pvap | 21.13 | kPa | 442.48 | Calculated Property |
| Pvap | 36.05 | kPa | 459.73 | Calculated Property |
| Pvap | 58.72 | kPa | 476.97 | Calculated Property |
| Pvap | 91.84 | kPa | 494.21 | Calculated Property |
| Pvap | 138.59 | kPa | 511.45 | Calculated Property |
| Pvap | 202.64 | kPa | 528.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Cumidine.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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