- InChI
- InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
- InChI Key
- JOZZAIIGWFLONA-UHFFFAOYSA-N
- Formula
- C5H13N
- SMILES
- CC(C)C(C)N
- Molecular Weight1
- 87.16
- CAS
- 598-74-3
- Other Names
-
- 1,2-Dimethylpropanamine
- 1,2-Dimethylpropylamine
- 2-Amino-3-methylbutane
- 3-Methyl-2-aminobutane
- Propylamine, 1,2-dimethyl-
- 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).
- 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 | 0.3493 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -142.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.990 | Crippen Calculated Property | |
| McVol | 91.290 | ml/mol | McGowan Calculated Property |
| Pc | 3786.98 | kPa | Joback Calculated Property |
| Tboil | [351.65; 358.70] | K |
|
| Tboil | 358.70 | K | NIST |
| Tboil | 356.15 ± 4.00 | K | NIST |
| Tboil | 351.65 ± 5.00 | K | NIST |
| Tc | 534.47 | K | Relay (1.0) Calculated Property |
| Tfus | 210.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.30; 314.33] | 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 | 1.47000e+00 | |||
| Coefficient B | 5.52560e-01 | |||
| Coefficient C | -2.98000e-04 | |||
| Coefficient D | 5.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 162.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 257.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 289.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [269.79; 381.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37435e+01 | |||
| Coefficient B | -2.52076e+03 | |||
| Coefficient C | -8.24570e+01 | |||
| Temperature range, min. | 269.79 | |||
| Temperature range, max. | 381.41 | |||
| Pvap | 1.33 | kPa | 269.79 | Calculated Property |
| Pvap | 3.07 | kPa | 282.19 | Calculated Property |
| Pvap | 6.43 | kPa | 294.59 | Calculated Property |
| Pvap | 12.39 | kPa | 307.00 | Calculated Property |
| Pvap | 22.30 | kPa | 319.40 | Calculated Property |
| Pvap | 37.86 | kPa | 331.80 | Calculated Property |
| Pvap | 61.13 | kPa | 344.20 | Calculated Property |
| Pvap | 94.50 | kPa | 356.61 | Calculated Property |
| Pvap | 140.69 | kPa | 369.01 | Calculated Property |
| Pvap | 202.66 | kPa | 381.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanamine, 3-methyl-.
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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