- InChI
- InChI=1S/C14H18O2/c1-10(2)9-16-14(15)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
- InChI Key
- DRBACORAXKIPLB-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- CC(C)COC(=O)C1CC1c1ccccc1
- Molecular Weight1
- 218.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -3.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 2.989 | Crippen Calculated Property | |
| McVol | 180.940 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1667.00] |
|
|
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Tboil | 624.32 | K | Joback Calculated Property |
| Tc | 842.02 | K | Joback Calculated Property |
| Tfus | 344.82 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.03; 572.40] | J/mol×K | [624.32; 842.02] |
|
| Cp,gas | 482.03 | J/mol×K | 624.32 | Joback Calculated Property |
| Cp,gas | 499.77 | J/mol×K | 660.60 | Joback Calculated Property |
| Cp,gas | 516.38 | J/mol×K | 696.89 | Joback Calculated Property |
| Cp,gas | 531.89 | J/mol×K | 733.17 | Joback Calculated Property |
| Cp,gas | 546.36 | J/mol×K | 769.45 | Joback Calculated Property |
| Cp,gas | 559.84 | J/mol×K | 805.74 | Joback Calculated Property |
| Cp,gas | 572.40 | J/mol×K | 842.02 | Joback Calculated Property |
| η | [0.0004071; 0.0022150] | Pa×s | [344.82; 624.32] |
|
| η | 0.0022150 | Pa×s | 344.82 | Joback Calculated Property |
| η | 0.0014119 | Pa×s | 391.40 | Joback Calculated Property |
| η | 0.0009904 | Pa×s | 437.99 | Joback Calculated Property |
| η | 0.0007438 | Pa×s | 484.57 | Joback Calculated Property |
| η | 0.0005874 | Pa×s | 531.15 | Joback Calculated Property |
| η | 0.0004818 | Pa×s | 577.74 | Joback Calculated Property |
| η | 0.0004071 | Pa×s | 624.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, isobutyl ester.
Sources
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