- InChI
- InChI=1S/C15H18O2/c1-4-9-14(5-2)17-15(16)12(3)13-10-7-6-8-11-13/h6-8,10-12,14H,5H2,1-3H3
- InChI Key
- UBDYWNRJPOSSMF-UHFFFAOYSA-N
- Formula
- C15H18O2
- SMILES
- CC#CC(CC)OC(=O)C(C)c1ccccc1
- 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° | 151.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 3.135 | Crippen Calculated Property | |
| McVol | 197.290 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | 1620.00 | NIST | |
| Tboil | 653.69 | K | Joback Calculated Property |
| Tc | 881.56 | K | Joback Calculated Property |
| Tfus | 433.49 | K | Joback Calculated Property |
| Vc | 0.742 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.11; 591.21] | J/mol×K | [653.69; 881.56] | 
|
| Cp,gas | 505.11 | J/mol×K | 653.69 | Joback Calculated Property |
| Cp,gas | 522.13 | J/mol×K | 691.67 | Joback Calculated Property |
| Cp,gas | 538.03 | J/mol×K | 729.65 | Joback Calculated Property |
| Cp,gas | 552.86 | J/mol×K | 767.63 | Joback Calculated Property |
| Cp,gas | 566.64 | J/mol×K | 805.61 | Joback Calculated Property |
| Cp,gas | 579.41 | J/mol×K | 843.59 | Joback Calculated Property |
| Cp,gas | 591.21 | J/mol×K | 881.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, hex-4-yn-3-yl ester.
Sources
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