- InChI
- InChI=1S/C18H24O2/c1-15(2)9-7-10-16(3)11-8-14-18(19)20-17-12-5-4-6-13-17/h4-6,9,11-13H,7-8,10,14H2,1-3H3/b16-11-
- InChI Key
- PCXFODQCJDGIDX-WJDWOHSUSA-N
- Formula
- C18H24O2
- SMILES
-
CC(C)=CCCC(C)=CCCC(=O)Oc1ccccc
1 - Molecular Weight1
- 272.38
- Other Names
-
- Phenyl (4Z)-5,9-dimethyl-4,8-decadienoate
- 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° | 122.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 5.065 | Crippen Calculated Property | |
| McVol | 239.560 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | 1953.00 | NIST | |
| Tboil | 722.29 | K | Joback Calculated Property |
| Tc | 932.40 | K | Joback Calculated Property |
| Tfus | 353.12 | K | Joback Calculated Property |
| Vc | 0.921 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.77; 752.81] | J/mol×K | [722.29; 932.40] | 
|
| Cp,gas | 663.77 | J/mol×K | 722.29 | Joback Calculated Property |
| Cp,gas | 681.03 | J/mol×K | 757.31 | Joback Calculated Property |
| Cp,gas | 697.23 | J/mol×K | 792.33 | Joback Calculated Property |
| Cp,gas | 712.44 | J/mol×K | 827.34 | Joback Calculated Property |
| Cp,gas | 726.73 | J/mol×K | 862.36 | Joback Calculated Property |
| Cp,gas | 740.17 | J/mol×K | 897.38 | Joback Calculated Property |
| Cp,gas | 752.81 | J/mol×K | 932.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neryl phenylacetate.
Sources
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