- InChI
- InChI=1S/C6H13NO3/c1-2-3-10-6(9)5(7)4-8/h5,8H,2-4,7H2,1H3
- InChI Key
- VZNRCOQNPQNNKI-UHFFFAOYSA-N
- Formula
- C6H13NO3
- SMILES
- CCCOC(=O)C(N)CO
- Molecular Weight1
- 147.17
- 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 | 0.7250 | Relay (1.0) Calculated Property | |
| ΔfG° | -307.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.741 | Crippen Calculated Property | |
| McVol | 118.690 | ml/mol | McGowan Calculated Property |
| Pc | 3950.57 | kPa | Joback Calculated Property |
| Inp | [1189.00; 1200.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Tboil | 506.74 | K | Relay (1.0) Calculated Property |
| Tc | 693.47 | K | Relay (1.0) Calculated Property |
| Tfus | 333.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.68; 347.83] | J/mol×K | [577.24; 761.34] |
|
| Cp,gas | 297.68 | J/mol×K | 577.24 | Joback Calculated Property |
| Cp,gas | 307.06 | J/mol×K | 607.92 | Joback Calculated Property |
| Cp,gas | 316.03 | J/mol×K | 638.61 | Joback Calculated Property |
| Cp,gas | 324.59 | J/mol×K | 669.29 | Joback Calculated Property |
| Cp,gas | 332.74 | J/mol×K | 699.97 | Joback Calculated Property |
| Cp,gas | 340.49 | J/mol×K | 730.65 | Joback Calculated Property |
| Cp,gas | 347.83 | J/mol×K | 761.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-amino-3-hydroxy, propyl ester.
Sources
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