- InChI
- InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
- InChI Key
- JCBPETKZIGVZRE-UHFFFAOYSA-N
- Formula
- C4H11NO
- SMILES
- CCC(N)CO
- Molecular Weight1
- 89.14
- CAS
- 96-20-8
- Other Names
-
- 1-(Hydroxymethyl)propylamine
- 1-Hydroxy-2-butylamine
- 2-Amino-1-butanol
- 2-Amino-1-hydroxybutane
- 2-Aminobutyl alcohol
- Butanol-2-amine
- 2-Aminobutan-1-ol
- 2-Amino-n-butyl alcohol
- 1-Butanol, 2-amino-, (.+/-.)-
- (RS)-2-Amino-1-butanol
- DL-2-Aminobutanol
- 1-Hydroxy-sec-butylamine
- NSC 1068
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | -90.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.43 | kJ/mol | Joback Calculated Property |
| log10WS | -0.31 | Crippen Calculated Property | |
| logPoct/wat | -0.284 | Crippen Calculated Property | |
| McVol | 83.070 | ml/mol | McGowan Calculated Property |
| Pc | 4789.21 | kPa | Joback Calculated Property |
| I | [1535.00; 1561.00] |
|
|
| I | 1544.00 | NIST | |
| I | Outlier 1561.00 | NIST | |
| I | 1550.00 | NIST | |
| I | 1545.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1547.00 | NIST | |
| I | 1544.00 | NIST | |
| I | 1547.00 | NIST | |
| Tboil | 455.19 | K | Joback Calculated Property |
| Tc | 634.79 | K | Joback Calculated Property |
| Tfus | 263.92 | K | Joback Calculated Property |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.64; 223.00] | J/mol×K | [455.19; 634.79] |
|
| Cp,gas | 179.64 | J/mol×K | 455.19 | Joback Calculated Property |
| Cp,gas | 187.68 | J/mol×K | 485.12 | Joback Calculated Property |
| Cp,gas | 195.38 | J/mol×K | 515.06 | Joback Calculated Property |
| Cp,gas | 202.76 | J/mol×K | 544.99 | Joback Calculated Property |
| Cp,gas | 209.81 | J/mol×K | 574.92 | Joback Calculated Property |
| Cp,gas | 216.56 | J/mol×K | 604.85 | Joback Calculated Property |
| Cp,gas | 223.00 | J/mol×K | 634.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2-amino-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.