- InChI
- InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3
- InChI Key
- SPVVMXMTSODFPU-UHFFFAOYSA-N
- Formula
- C10H23N
- SMILES
- CC(C)CCNCCC(C)C
- Molecular Weight1
- 157.30
- CAS
- 544-00-3
- Other Names
-
- 1-Butanamine, 3-methyl-N-(3-methylbutyl)-
- Diisoamylamine
- Diisopentylamine
- 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).
- 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).
- 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 | 0.5132 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6974.30 | kJ/mol | NIST |
| ΔfG° | 117.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -248.00 | kJ/mol | NIST |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.668 | Crippen Calculated Property | |
| McVol | 161.740 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | [1046.00; 1061.00] |
|
|
| Inp | 1061.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Tboil | 461.20 | K | NIST |
| Tc | 622.84 | K | Relay (1.0) Calculated Property |
| Tfus | 229.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.17; 573.20] | 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 | -1.07760e+01 | |||
| Coefficient B | 1.04188e+00 | |||
| Coefficient C | -5.75200e-04 | |||
| Coefficient D | 1.17300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 233.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 291.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 342.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 389.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 430.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 467.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 499.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 527.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 573.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [350.92; 487.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56757e+01 | |||
| Coefficient B | -4.33283e+03 | |||
| Coefficient C | -6.93500e+01 | |||
| Temperature range, min. | 350.92 | |||
| Temperature range, max. | 487.41 | |||
| Pvap | 1.33 | kPa | 350.92 | Calculated Property |
| Pvap | 2.93 | kPa | 366.09 | Calculated Property |
| Pvap | 5.95 | kPa | 381.25 | Calculated Property |
| Pvap | 11.34 | kPa | 396.42 | Calculated Property |
| Pvap | 20.39 | kPa | 411.58 | Calculated Property |
| Pvap | 34.90 | kPa | 426.75 | Calculated Property |
| Pvap | 57.16 | kPa | 441.91 | Calculated Property |
| Pvap | 90.09 | kPa | 457.08 | Calculated Property |
| Pvap | 137.20 | kPa | 472.24 | Calculated Property |
| Pvap | 202.66 | kPa | 487.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Di(3-Methylbutyl)amine.
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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