- InChI
- InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3,5,7,9H,4,6H2,1-2H3
- InChI Key
- PCOMBRWRJCHFGG-HWKANZROSA-N
- Formula
- C8H14O3
- SMILES
- C/C=C/C(O)CC(=O)OCC
- Molecular Weight1
- 158.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.6232 | Relay (1.0) Calculated Property | |
| ΔfG° | -352.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.877 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Tboil | 462.63 | K | Relay (1.0) Calculated Property |
| Tc | 655.91 | K | Relay (1.0) Calculated Property |
| Tfus | 289.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.02; 368.16] | J/mol×K | [536.76; 712.59] | 
|
| Cp,gas | 311.02 | J/mol×K | 536.76 | Joback Calculated Property |
| Cp,gas | 321.76 | J/mol×K | 566.07 | Joback Calculated Property |
| Cp,gas | 331.99 | J/mol×K | 595.37 | Joback Calculated Property |
| Cp,gas | 341.73 | J/mol×K | 624.68 | Joback Calculated Property |
| Cp,gas | 351.00 | J/mol×K | 653.98 | Joback Calculated Property |
| Cp,gas | 359.81 | J/mol×K | 683.29 | Joback Calculated Property |
| Cp,gas | 368.16 | J/mol×K | 712.59 | Joback Calculated Property |
| η | [0.0000864; 0.0417738] | Pa×s | [262.99; 536.76] |
|
| η | 0.0417738 | Pa×s | 262.99 | Joback Calculated Property |
| η | 0.0069626 | Pa×s | 308.62 | Joback Calculated Property |
| η | 0.0018412 | Pa×s | 354.25 | Joback Calculated Property |
| η | 0.0006596 | Pa×s | 399.88 | Joback Calculated Property |
| η | 0.0002916 | Pa×s | 445.50 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 491.13 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 536.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxy-4-hexenoic acid, ethyl ester.
Sources
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