- InChI
- InChI=1S/C13H18O2/c1-4-12(13(14)15-10(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3
- InChI Key
- CNFICIURFRWLFF-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CCC(C(=O)OC(C)C)c1ccccc1
- Molecular Weight1
- 206.28
- 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° | -67.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 3.132 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | [1371.00; 1371.00] |
|
|
| Inp | 1371.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Tboil | 598.93 | K | Joback Calculated Property |
| Tc | 810.13 | K | Joback Calculated Property |
| Tfus | 304.85 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.11; 529.36] | J/mol×K | [598.93; 810.13] |
|
| Cp,gas | 444.11 | J/mol×K | 598.93 | Joback Calculated Property |
| Cp,gas | 460.66 | J/mol×K | 634.13 | Joback Calculated Property |
| Cp,gas | 476.24 | J/mol×K | 669.33 | Joback Calculated Property |
| Cp,gas | 490.87 | J/mol×K | 704.53 | Joback Calculated Property |
| Cp,gas | 504.59 | J/mol×K | 739.73 | Joback Calculated Property |
| Cp,gas | 517.41 | J/mol×K | 774.93 | Joback Calculated Property |
| Cp,gas | 529.36 | J/mol×K | 810.13 | Joback Calculated Property |
| η | [0.0001463; 0.0037379] | Pa×s | [304.85; 598.93] |
|
| η | 0.0037379 | Pa×s | 304.85 | Joback Calculated Property |
| η | 0.0014984 | Pa×s | 353.86 | Joback Calculated Property |
| η | 0.0007503 | Pa×s | 402.88 | Joback Calculated Property |
| η | 0.0004365 | Pa×s | 451.89 | Joback Calculated Property |
| η | 0.0002824 | Pa×s | 500.90 | Joback Calculated Property |
| η | 0.0001974 | Pa×s | 549.92 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 598.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, isopropyl ester.
Sources
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