- InChI
- InChI=1S/C12H18O2/c1-6-10(4)8-12(7-9(2)3)14-11(5)13/h6-8,12H,1H2,2-5H3/b10-8+
- InChI Key
- ZOOSZTPUIIHGKF-CSKARUKUSA-N
- Formula
- C12H18O2
- SMILES
- C=CC(C)=CC(C=C(C)C)OC(C)=O
- Molecular Weight1
- 194.27
- 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° | 44.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 174.480 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| I | 1661.00 | NIST | |
| Tboil | 554.57 | K | Joback Calculated Property |
| Tc | 751.89 | K | Joback Calculated Property |
| Tfus | 242.32 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.13; 486.68] | J/mol×K | [554.57; 751.89] | 
|
| Cp,gas | 407.13 | J/mol×K | 554.57 | Joback Calculated Property |
| Cp,gas | 422.29 | J/mol×K | 587.46 | Joback Calculated Property |
| Cp,gas | 436.63 | J/mol×K | 620.34 | Joback Calculated Property |
| Cp,gas | 450.20 | J/mol×K | 653.23 | Joback Calculated Property |
| Cp,gas | 463.04 | J/mol×K | 686.12 | Joback Calculated Property |
| Cp,gas | 475.19 | J/mol×K | 719.01 | Joback Calculated Property |
| Cp,gas | 486.68 | J/mol×K | 751.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Ocimenyl acetate.
Sources
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