- InChI
- InChI=1S/C18H24O2/c1-5-7-8-17(13-14(3)4)20-18(19)16-11-9-15(6-2)10-12-16/h9-12,14,17H,5-6,13H2,1-4H3
- InChI Key
- ZMVHFIKUBUHYDD-UHFFFAOYSA-N
- Formula
- C18H24O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1ccc(CC)c
c1 - 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° | 167.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.53 | Crippen Calculated Property | |
| logPoct/wat | 4.234 | Crippen Calculated Property | |
| McVol | 239.560 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | 1965.90 | NIST | |
| Tboil | 727.31 | K | Joback Calculated Property |
| Tc | 944.59 | K | Joback Calculated Property |
| Tfus | 479.82 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.97; 756.64] | J/mol×K | [727.31; 944.59] | 
|
| Cp,gas | 665.97 | J/mol×K | 727.31 | Joback Calculated Property |
| Cp,gas | 683.82 | J/mol×K | 763.52 | Joback Calculated Property |
| Cp,gas | 700.53 | J/mol×K | 799.74 | Joback Calculated Property |
| Cp,gas | 716.13 | J/mol×K | 835.95 | Joback Calculated Property |
| Cp,gas | 730.66 | J/mol×K | 872.16 | Joback Calculated Property |
| Cp,gas | 744.15 | J/mol×K | 908.37 | Joback Calculated Property |
| Cp,gas | 756.64 | J/mol×K | 944.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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