- InChI
- InChI=1S/C11H18O3/c1-3-4-5-6-7-13-10-8-11(12)14-9(10)2/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-
- InChI Key
- IBAKBAAEJZENMM-PLNGDYQASA-N
- Formula
- C11H18O3
- SMILES
- CCC=CCCOC1CC(=O)OC1C
- Molecular Weight1
- 198.26
- 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).
- I : 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° | -162.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.35 | Crippen Calculated Property | |
| logPoct/wat | 2.063 | Crippen Calculated Property | |
| McVol | 164.000 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| I | 2114.00 | NIST | |
| Tboil | 583.04 | K | Joback Calculated Property |
| Tc | 791.04 | K | Joback Calculated Property |
| Tfus | 332.33 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.69; 521.36] | J/mol×K | [583.04; 791.04] | 
|
| Cp,gas | 428.69 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 446.29 | J/mol×K | 617.71 | Joback Calculated Property |
| Cp,gas | 463.02 | J/mol×K | 652.37 | Joback Calculated Property |
| Cp,gas | 478.89 | J/mol×K | 687.04 | Joback Calculated Property |
| Cp,gas | 493.91 | J/mol×K | 721.71 | Joback Calculated Property |
| Cp,gas | 508.06 | J/mol×K | 756.37 | Joback Calculated Property |
| Cp,gas | 521.36 | J/mol×K | 791.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(cis-3-hexenoxy)-«gamma»-valerolactone.
Sources
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