- InChI
- InChI=1S/C15H18O2/c1-4-7-14(6-3)17-15(16)13-10-8-12(5-2)9-11-13/h8-11,14H,5-6H2,1-3H3
- InChI Key
- ILJACNQHGIRAAX-UHFFFAOYSA-N
- Formula
- C15H18O2
- SMILES
- CC#CC(CC)OC(=O)c1ccc(CC)cc1
- Molecular Weight1
- 230.30
- 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° | 144.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.208 | Crippen Calculated Property | |
| McVol | 197.290 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | 1782.10 | NIST | |
| Tboil | 659.11 | K | Joback Calculated Property |
| Tc | 883.34 | K | Joback Calculated Property |
| Tfus | 461.01 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.01; 587.94] | J/mol×K | [659.11; 883.34] | 
|
| Cp,gas | 504.01 | J/mol×K | 659.11 | Joback Calculated Property |
| Cp,gas | 520.47 | J/mol×K | 696.48 | Joback Calculated Property |
| Cp,gas | 535.90 | J/mol×K | 733.85 | Joback Calculated Property |
| Cp,gas | 550.33 | J/mol×K | 771.23 | Joback Calculated Property |
| Cp,gas | 563.80 | J/mol×K | 808.60 | Joback Calculated Property |
| Cp,gas | 576.33 | J/mol×K | 845.97 | Joback Calculated Property |
| Cp,gas | 587.94 | J/mol×K | 883.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, hex-4-yn-3-yl ester.
Sources
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