- InChI
- InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
- InChI Key
- IIFFFBSAXDNJHX-UHFFFAOYSA-N
- Formula
- C12H27N
- SMILES
- CC(C)CN(CC(C)C)CC(C)C
- Molecular Weight1
- 185.35
- CAS
- 1116-40-1
- Other Names
-
- tri(2-methylpropyl)ylamine
- triisobutylamine
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5078 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -8249.20 | kJ/mol | NIST |
| ΔfG° | 153.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -332.00 | kJ/mol | NIST |
| ΔfusH° | 19.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 189.920 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Tboil | 464.65 ± 0.40 | K | NIST |
| Tc | 607.73 | K | Relay (1.0) Calculated Property |
| Tfus | 251.35 ± 0.50 | K | NIST |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [52.30; 54.30] | kJ/mol | [298.00; 378.50] | 
|
| ΔvapH | 52.30 | kJ/mol | 298.00 | Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15 |
| ΔvapH | 54.30 | kJ/mol | 378.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.61; 678.06] | 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 | -2.37570e+01 | |||
| Coefficient B | 1.28552e+00 | |||
| Coefficient C | -7.51200e-04 | |||
| Coefficient D | 1.67500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 274.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 344.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 462.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 554.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 591.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 624.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 653.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 678.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [353.72; 491.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56822e+01 | |||
| Coefficient B | -4.36280e+03 | |||
| Coefficient C | -7.03230e+01 | |||
| Temperature range, min. | 353.72 | |||
| Temperature range, max. | 491.01 | |||
| Pvap | 1.33 | kPa | 353.72 | Calculated Property |
| Pvap | 2.93 | kPa | 368.97 | Calculated Property |
| Pvap | 5.95 | kPa | 384.23 | Calculated Property |
| Pvap | 11.34 | kPa | 399.48 | Calculated Property |
| Pvap | 20.39 | kPa | 414.74 | Calculated Property |
| Pvap | 34.89 | kPa | 429.99 | Calculated Property |
| Pvap | 57.15 | kPa | 445.25 | Calculated Property |
| Pvap | 90.08 | kPa | 460.50 | Calculated Property |
| Pvap | 137.19 | kPa | 475.76 | Calculated Property |
| Pvap | 202.67 | kPa | 491.01 | Calculated Property |
| Pvap | [0.13; 101.00] | kPa | [305.40; 452.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.67451e+01 | |||
| Coefficient B | -5.03134e+03 | |||
| Coefficient C | -3.72140e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 305.40 | |||
| Temperature range, max. | 452.00 | |||
| Pvap | 0.13 | kPa | 305.40 | Calculated Property |
| Pvap | 0.39 | kPa | 321.69 | Calculated Property |
| Pvap | 1.02 | kPa | 337.98 | Calculated Property |
| Pvap | 2.40 | kPa | 354.27 | Calculated Property |
| Pvap | 5.21 | kPa | 370.56 | Calculated Property |
| Pvap | 10.53 | kPa | 386.84 | Calculated Property |
| Pvap | 19.99 | kPa | 403.13 | Calculated Property |
| Pvap | 35.92 | kPa | 419.42 | Calculated Property |
| Pvap | 61.52 | kPa | 435.71 | Calculated Property |
| Pvap | 101.00 | kPa | 452.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, 2-methyl-N,N-bis(2-methylpropyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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