- InChI
- InChI=1S/C18H22O2/c1-14(2)10-11-17(12-15(3)4)20-18(19)13-16-8-6-5-7-9-16/h5-9,15,17H,1,12-13H2,2-4H3
- InChI Key
- KUQMVCQVSLJQDB-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)Cc1ccc
cc1 - Molecular Weight1
- 270.37
- 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° | 256.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 3.767 | Crippen Calculated Property | |
| McVol | 235.260 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | 1826.30 | NIST | |
| Tboil | 718.89 | K | Joback Calculated Property |
| Tc | 942.50 | K | Joback Calculated Property |
| Tfus | 451.58 | K | Joback Calculated Property |
| Vc | 0.891 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.70; 731.06] | J/mol×K | [718.89; 942.50] | 
|
| Cp,gas | 641.70 | J/mol×K | 718.89 | Joback Calculated Property |
| Cp,gas | 659.40 | J/mol×K | 756.16 | Joback Calculated Property |
| Cp,gas | 675.92 | J/mol×K | 793.43 | Joback Calculated Property |
| Cp,gas | 691.29 | J/mol×K | 830.69 | Joback Calculated Property |
| Cp,gas | 705.57 | J/mol×K | 867.96 | Joback Calculated Property |
| Cp,gas | 718.81 | J/mol×K | 905.23 | Joback Calculated Property |
| Cp,gas | 731.06 | J/mol×K | 942.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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