- InChI
- InChI=1S/C18H24O2/c1-4-5-11-17(14-15(2)3)20-18(19)13-12-16-9-7-6-8-10-16/h6-10,15,17H,4,12-14H2,1-3H3
- InChI Key
- GLIPACJKXJXVPU-UHFFFAOYSA-N
- Formula
- C18H24O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCc1ccccc1
- Molecular Weight1
- 272.38
- 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° | 177.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.991 | Crippen Calculated Property | |
| McVol | 239.560 | ml/mol | McGowan Calculated Property |
| Pc | 1746.28 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1875.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1875.00 | NIST | |
| Tboil | 722.33 | K | Joback Calculated Property |
| Tc | 938.81 | K | Joback Calculated Property |
| Tfus | 467.30 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.49; 757.77] | J/mol×K | [722.33; 938.81] |
|
| Cp,gas | 666.49 | J/mol×K | 722.33 | Joback Calculated Property |
| Cp,gas | 684.48 | J/mol×K | 758.41 | Joback Calculated Property |
| Cp,gas | 701.30 | J/mol×K | 794.49 | Joback Calculated Property |
| Cp,gas | 717.00 | J/mol×K | 830.57 | Joback Calculated Property |
| Cp,gas | 731.62 | J/mol×K | 866.65 | Joback Calculated Property |
| Cp,gas | 745.19 | J/mol×K | 902.73 | Joback Calculated Property |
| Cp,gas | 757.77 | J/mol×K | 938.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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