- InChI
- InChI=1S/C20H26O2/c1-6-8-16(5)19(14-9-15(3)4)22-20(21)18-12-10-17(7-2)11-13-18/h10-13,16,19H,3,6-8H2,1-2,4-5H3
- InChI Key
- RCCWFOTWJIIRJG-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccc(CC)cc1)
C(C)CCC - Molecular Weight1
- 298.42
- 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° | 263.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.99 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 4.790 | Crippen Calculated Property | |
| McVol | 263.440 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Inp | 2087.80 | NIST | |
| Tboil | 769.63 | K | Joback Calculated Property |
| Tc | 987.46 | K | Joback Calculated Property |
| Tfus | 486.64 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.20; 844.18] | J/mol×K | [769.63; 987.46] | 
|
| Cp,gas | 753.20 | J/mol×K | 769.63 | Joback Calculated Property |
| Cp,gas | 771.17 | J/mol×K | 805.94 | Joback Calculated Property |
| Cp,gas | 787.96 | J/mol×K | 842.24 | Joback Calculated Property |
| Cp,gas | 803.61 | J/mol×K | 878.55 | Joback Calculated Property |
| Cp,gas | 818.16 | J/mol×K | 914.85 | Joback Calculated Property |
| Cp,gas | 831.67 | J/mol×K | 951.16 | Joback Calculated Property |
| Cp,gas | 844.18 | J/mol×K | 987.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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