- InChI
- InChI=1S/C14H18O2/c1-11(2)9-10-16-14(15)12(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3
- InChI Key
- KLOHAVOEOBEPHC-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- CC(C)=CCOC(=O)C(C)c1ccccc1
- Molecular Weight1
- 218.29
- 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° | 14.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 3.299 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Tboil | 626.29 | K | Joback Calculated Property |
| Tc | 842.02 | K | Joback Calculated Property |
| Tfus | 312.08 | K | Joback Calculated Property |
| Vc | 0.711 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.50; 557.57] | J/mol×K | [626.29; 842.02] |
|
| Cp,gas | 473.50 | J/mol×K | 626.29 | Joback Calculated Property |
| Cp,gas | 489.94 | J/mol×K | 662.24 | Joback Calculated Property |
| Cp,gas | 505.35 | J/mol×K | 698.20 | Joback Calculated Property |
| Cp,gas | 519.77 | J/mol×K | 734.15 | Joback Calculated Property |
| Cp,gas | 533.25 | J/mol×K | 770.11 | Joback Calculated Property |
| Cp,gas | 545.84 | J/mol×K | 806.06 | Joback Calculated Property |
| Cp,gas | 557.57 | J/mol×K | 842.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, 3-methylbut-2-en-1-yl ester.
Sources
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