- InChI
- InChI=1S/C6H13NO3/c1-4(2)10-6(9)5(7)3-8/h4-5,8H,3,7H2,1-2H3
- InChI Key
- DETDCGYOOXTNBW-UHFFFAOYSA-N
- Formula
- C6H13NO3
- SMILES
- CC(C)OC(=O)C(N)CO
- Molecular Weight1
- 147.17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -309.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.65 | kJ/mol | Joback Calculated Property |
| log10WS | -0.12 | Crippen Calculated Property | |
| logPoct/wat | -0.742 | Crippen Calculated Property | |
| McVol | 118.690 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Inp | [1141.00; 1150.00] |
|
|
| Inp | 1150.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Tboil | 576.80 | K | Joback Calculated Property |
| Tc | 764.37 | K | Joback Calculated Property |
| Tfus | 343.62 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.11; 349.29] | J/mol×K | [576.80; 764.37] |
|
| Cp,gas | 298.11 | J/mol×K | 576.80 | Joback Calculated Property |
| Cp,gas | 307.73 | J/mol×K | 608.06 | Joback Calculated Property |
| Cp,gas | 316.90 | J/mol×K | 639.32 | Joback Calculated Property |
| Cp,gas | 325.64 | J/mol×K | 670.59 | Joback Calculated Property |
| Cp,gas | 333.95 | J/mol×K | 701.85 | Joback Calculated Property |
| Cp,gas | 341.83 | J/mol×K | 733.11 | Joback Calculated Property |
| Cp,gas | 349.29 | J/mol×K | 764.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-amino-3-hydroxy, isopropyl ester.
Sources
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