- InChI
- InChI=1S/C20H26O2/c1-5-9-17(4)19(14-12-16(2)3)22-20(21)15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19H,2,5,9,13,15H2,1,3-4H3
- InChI Key
- DUWKKLSTTBPJHA-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
C=C(C)C#CC(OC(=O)CCc1ccccc1)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° | 273.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.547 | Crippen Calculated Property | |
| McVol | 263.440 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | 2016.00 | NIST | |
| Tboil | 764.65 | K | Joback Calculated Property |
| Tc | 981.71 | K | Joback Calculated Property |
| Tfus | 474.12 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.76; 845.30] | J/mol×K | [764.65; 981.71] | 
|
| Cp,gas | 753.76 | J/mol×K | 764.65 | Joback Calculated Property |
| Cp,gas | 771.85 | J/mol×K | 800.83 | Joback Calculated Property |
| Cp,gas | 788.73 | J/mol×K | 837.00 | Joback Calculated Property |
| Cp,gas | 804.46 | J/mol×K | 873.18 | Joback Calculated Property |
| Cp,gas | 819.10 | J/mol×K | 909.35 | Joback Calculated Property |
| Cp,gas | 832.70 | J/mol×K | 945.53 | Joback Calculated Property |
| Cp,gas | 845.30 | J/mol×K | 981.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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