- InChI
- InChI=1S/C20H28O2/c1-5-7-9-17-11-13-18(14-12-17)20(21)22-19(10-8-6-2)15-16(3)4/h11-14,16,19H,5-7,9,15H2,1-4H3
- InChI Key
- MHZZLZDIBWJACG-UHFFFAOYSA-N
- Formula
- C20H28O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1ccc(CCCC
)cc1 - Molecular Weight1
- 300.44
- 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° | 184.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.37 | Crippen Calculated Property | |
| logPoct/wat | 5.014 | Crippen Calculated Property | |
| McVol | 267.740 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | 2160.30 | NIST | |
| Tboil | 773.07 | K | Joback Calculated Property |
| Tc | 984.92 | K | Joback Calculated Property |
| Tfus | 502.36 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.37; 871.91] | J/mol×K | [773.07; 984.92] | 
|
| Cp,gas | 779.37 | J/mol×K | 773.07 | Joback Calculated Property |
| Cp,gas | 797.60 | J/mol×K | 808.38 | Joback Calculated Property |
| Cp,gas | 814.65 | J/mol×K | 843.69 | Joback Calculated Property |
| Cp,gas | 830.57 | J/mol×K | 878.99 | Joback Calculated Property |
| Cp,gas | 845.40 | J/mol×K | 914.30 | Joback Calculated Property |
| Cp,gas | 859.17 | J/mol×K | 949.61 | Joback Calculated Property |
| Cp,gas | 871.91 | J/mol×K | 984.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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