- InChI
- InChI=1S/C12H20O3/c1-10(2)5-4-6-12(9-13)7-8-15-11(3)14/h5,7,13H,4,6,8-9H2,1-3H3/b12-7-
- InChI Key
- YSJLKCJDEAYOME-GHXNOFRVSA-N
- Formula
- C12H20O3
- SMILES
- CC(=O)OCC=C(CO)CCC=C(C)C
- Molecular Weight1
- 212.29
- 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° | -177.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.215 | Crippen Calculated Property | |
| McVol | 184.650 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| I | 1764.00 | NIST | |
| Tboil | 650.51 | K | Joback Calculated Property |
| Tc | 831.83 | K | Joback Calculated Property |
| Tfus | 319.90 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.58; 555.01] | J/mol×K | [650.51; 831.83] | 
|
| Cp,gas | 486.58 | J/mol×K | 650.51 | Joback Calculated Property |
| Cp,gas | 499.45 | J/mol×K | 680.73 | Joback Calculated Property |
| Cp,gas | 511.70 | J/mol×K | 710.95 | Joback Calculated Property |
| Cp,gas | 523.35 | J/mol×K | 741.17 | Joback Calculated Property |
| Cp,gas | 534.43 | J/mol×K | 771.39 | Joback Calculated Property |
| Cp,gas | 544.98 | J/mol×K | 801.61 | Joback Calculated Property |
| Cp,gas | 555.01 | J/mol×K | 831.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-(Hydroxymethyl)-7-methylocta-2,6-dien-1-yl acetate.
Sources
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