- InChI
- InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3
- InChI Key
- BLWYXBNNBYXPPL-UHFFFAOYSA-N
- Formula
- C6H11NO2
- SMILES
- COC(=O)C1CCCN1
- Molecular Weight1
- 129.16
- 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° | -110.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.12 | kJ/mol | Joback Calculated Property |
| log10WS | -0.39 | Crippen Calculated Property | |
| logPoct/wat | -0.089 | Crippen Calculated Property | |
| McVol | 101.960 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [1243.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Tboil | 476.80 | K | Joback Calculated Property |
| Tc | 692.67 | K | Joback Calculated Property |
| Tfus | 345.47 | K | Joback Calculated Property |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.08; 288.95] | J/mol×K | [476.80; 692.67] |
|
| Cp,gas | 219.08 | J/mol×K | 476.80 | Joback Calculated Property |
| Cp,gas | 232.24 | J/mol×K | 512.78 | Joback Calculated Property |
| Cp,gas | 244.80 | J/mol×K | 548.76 | Joback Calculated Property |
| Cp,gas | 256.74 | J/mol×K | 584.73 | Joback Calculated Property |
| Cp,gas | 268.08 | J/mol×K | 620.71 | Joback Calculated Property |
| Cp,gas | 278.82 | J/mol×K | 656.69 | Joback Calculated Property |
| Cp,gas | 288.95 | J/mol×K | 692.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pro, methyl ester.
Sources
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