- InChI
- InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3
- InChI Key
- NWYYWIJOWOLJNR-UHFFFAOYSA-N
- Formula
- C5H13NO
- SMILES
- CC(C)C(N)CO
- Molecular Weight1
- 103.16
- CAS
- 16369-05-4
- Other Names
-
- (+-)-2-Amino-3-methyl-1-butanol
- (±)-2-amino-3-methylbutan-1-ol
- 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).
- 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 | 0.5956 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.038 | Crippen Calculated Property | |
| McVol | 97.160 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Tboil | 456.50 ± 2.50 | K | NIST |
| Tc | 633.14 | K | Relay (1.0) Calculated Property |
| Tfus | 293.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [349.20; 370.50] | K | [1.00; 1.30] |
|
| Tboilr | 349.20 | K | 1.00 | NIST |
| Tboilr | 370.50 ± 2.50 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.80; 333.00] | 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 | 6.76100e+00 | |||
| Coefficient B | 5.86540e-01 | |||
| Coefficient C | -3.28400e-04 | |||
| Coefficient D | 6.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 231.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 274.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 292.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 307.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 321.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 333.00 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2-amino-3-methyl-, (.+/-.)-.
Sources
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