- InChI
- InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
- InChI Key
- KODLUXHSIZOKTG-UHFFFAOYSA-N
- Formula
- C4H11NO
- SMILES
- CCC(O)CN
- Molecular Weight1
- 89.14
- CAS
- 13552-21-1
- Other Names
-
- 2-Butanol, 1-amino-
- 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).
- 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 |
|---|---|---|---|
| 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 |
| Tboil | 442.00 | K | NIST |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [338.64; 466.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61240e+01 | |||
| Coefficient B | -4.34866e+03 | |||
| Coefficient C | -6.40400e+01 | |||
| Temperature range, min. | 338.64 | |||
| Temperature range, max. | 466.23 | |||
| Pvap | 1.33 | kPa | 338.64 | Calculated Property |
| Pvap | 2.90 | kPa | 352.82 | Calculated Property |
| Pvap | 5.87 | kPa | 366.99 | Calculated Property |
| Pvap | 11.15 | kPa | 381.17 | Calculated Property |
| Pvap | 20.05 | kPa | 395.35 | Calculated Property |
| Pvap | 34.36 | kPa | 409.52 | Calculated Property |
| Pvap | 56.43 | kPa | 423.70 | Calculated Property |
| Pvap | 89.25 | kPa | 437.88 | Calculated Property |
| Pvap | 136.52 | kPa | 452.05 | Calculated Property |
| Pvap | 202.65 | kPa | 466.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Amino-2-butanol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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