- InChI
- InChI=1S/C15H22O2/c1-5-14(13-9-7-6-8-10-13)15(16)17-12(4)11(2)3/h6-12,14H,5H2,1-4H3
- InChI Key
- BYYOPFNWBWBMHY-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCC(C(=O)OC(C)C(C)C)c1ccccc1
- Molecular Weight1
- 234.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5516 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | [1530.00; 1530.00] |
|
|
| Inp | 1530.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Tboil | 539.93 | K | Relay (1.0) Calculated Property |
| Tc | 756.45 | K | Relay (1.0) Calculated Property |
| Tfus | 291.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.71; 639.35] | J/mol×K | [644.25; 852.91] |
|
| Cp,gas | 547.71 | J/mol×K | 644.25 | Joback Calculated Property |
| Cp,gas | 565.56 | J/mol×K | 679.03 | Joback Calculated Property |
| Cp,gas | 582.33 | J/mol×K | 713.80 | Joback Calculated Property |
| Cp,gas | 598.07 | J/mol×K | 748.58 | Joback Calculated Property |
| Cp,gas | 612.79 | J/mol×K | 783.36 | Joback Calculated Property |
| Cp,gas | 626.54 | J/mol×K | 818.14 | Joback Calculated Property |
| Cp,gas | 639.35 | J/mol×K | 852.91 | Joback Calculated Property |
| η | [0.0001095; 0.0043870] | Pa×s | [312.39; 644.25] |
|
| η | 0.0043870 | Pa×s | 312.39 | Joback Calculated Property |
| η | 0.0014933 | Pa×s | 367.70 | Joback Calculated Property |
| η | 0.0006738 | Pa×s | 423.01 | Joback Calculated Property |
| η | 0.0003655 | Pa×s | 478.32 | Joback Calculated Property |
| η | 0.0002250 | Pa×s | 533.63 | Joback Calculated Property |
| η | 0.0001518 | Pa×s | 588.94 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 644.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester.
Sources
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