- InChI
- InChI=1S/C19H24O2/c1-15(2)10-12-18(14-16(3)4)21-19(20)13-11-17-8-6-5-7-9-17/h5-9,16,18H,1,11,13-14H2,2-4H3
- InChI Key
- NNQSPQLMDJEQMS-UHFFFAOYSA-N
- Formula
- C19H24O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCc1cc
ccc1 - Molecular Weight1
- 284.39
- 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° | 264.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 4.157 | Crippen Calculated Property | |
| McVol | 249.350 | ml/mol | McGowan Calculated Property |
| Pc | 1676.91 | kPa | Joback Calculated Property |
| Inp | 1927.00 | NIST | |
| Tboil | 741.77 | K | Joback Calculated Property |
| Tc | 961.86 | K | Joback Calculated Property |
| Tfus | 462.85 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [697.19; 787.78] | J/mol×K | [741.77; 961.86] | 
|
| Cp,gas | 697.19 | J/mol×K | 741.77 | Joback Calculated Property |
| Cp,gas | 715.11 | J/mol×K | 778.45 | Joback Calculated Property |
| Cp,gas | 731.84 | J/mol×K | 815.13 | Joback Calculated Property |
| Cp,gas | 747.41 | J/mol×K | 851.82 | Joback Calculated Property |
| Cp,gas | 761.89 | J/mol×K | 888.50 | Joback Calculated Property |
| Cp,gas | 775.33 | J/mol×K | 925.18 | Joback Calculated Property |
| Cp,gas | 787.78 | J/mol×K | 961.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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