- InChI
- InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
- InChI Key
- VJROPLWGFCORRM-UHFFFAOYSA-N
- Formula
- C5H13N
- SMILES
- CCC(C)CN
- Molecular Weight1
- 87.17
- CAS
- 96-15-1
- Other Names
-
- 2-Methyl-1-butylamine
- 2-Methylbutanamine
- 2-Methylbutylamine
- Butylamine, 2-methyl-
- 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).
- 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 | 0.3766 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 91.290 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Inp | 701.00 | NIST | |
| Tboil | [368.70; 369.65] | K |
|
| Tboil | 368.70 | K | NIST |
| Tboil | 368.90 ± 2.00 | K | NIST |
| Tboil | 369.65 ± 2.00 | K | NIST |
| Tc | 544.44 | K | Relay (1.0) Calculated Property |
| Tfus | 202.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.313 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.61; 313.79] | 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 | 3.15200e+00 | |||
| Coefficient B | 5.46640e-01 | |||
| Coefficient C | -2.94800e-04 | |||
| Coefficient D | 5.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 162.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 189.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 214.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 273.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 313.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [279.29; 391.27] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40129e+01 | |||
| Coefficient B | -2.66199e+03 | |||
| Coefficient C | -8.53450e+01 | |||
| Temperature range, min. | 279.29 | |||
| Temperature range, max. | 391.27 | |||
| Pvap | 1.33 | kPa | 279.29 | Calculated Property |
| Pvap | 3.05 | kPa | 291.73 | Calculated Property |
| Pvap | 6.35 | kPa | 304.17 | Calculated Property |
| Pvap | 12.21 | kPa | 316.62 | Calculated Property |
| Pvap | 21.98 | kPa | 329.06 | Calculated Property |
| Pvap | 37.37 | kPa | 341.50 | Calculated Property |
| Pvap | 60.47 | kPa | 353.94 | Calculated Property |
| Pvap | 93.78 | kPa | 366.39 | Calculated Property |
| Pvap | 140.13 | kPa | 378.83 | Calculated Property |
| Pvap | 202.64 | kPa | 391.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Amino-2-methylbutane.
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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