- InChI
- InChI=1S/C7H15NO3/c1-3-4-11-7(10)6(8)5(2)9/h5-6,9H,3-4,8H2,1-2H3
- InChI Key
- RELVKKXAEWOJGJ-UHFFFAOYSA-N
- Formula
- C7H15NO3
- SMILES
- CCCOC(=O)C(N)C(C)O
- Molecular Weight1
- 161.20
- 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).
- 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 | 0.6867 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.352 | Crippen Calculated Property | |
| McVol | 132.780 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | [1165.00; 1188.00] |
|
|
| Inp | 1188.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Tboil | 485.15 | K | Relay (1.0) Calculated Property |
| Tc | 663.71 | K | Relay (1.0) Calculated Property |
| Tfus | 343.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.26; 399.94] | J/mol×K | [599.68; 785.25] |
|
| Cp,gas | 344.26 | J/mol×K | 599.68 | Joback Calculated Property |
| Cp,gas | 354.74 | J/mol×K | 630.61 | Joback Calculated Property |
| Cp,gas | 364.73 | J/mol×K | 661.54 | Joback Calculated Property |
| Cp,gas | 374.25 | J/mol×K | 692.47 | Joback Calculated Property |
| Cp,gas | 383.28 | J/mol×K | 723.40 | Joback Calculated Property |
| Cp,gas | 391.85 | J/mol×K | 754.33 | Joback Calculated Property |
| Cp,gas | 399.94 | J/mol×K | 785.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-amino-3-hydroxy, propyl ester.
Sources
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