- InChI
- InChI=1S/C14H18O3/c1-4-9(2)14(15)17-12-7-5-11(6-8-12)13-10(3)16-13/h5-10,13H,4H2,1-3H3
- InChI Key
- GZZHKMKHBABOEJ-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- CCC(C)C(=O)Oc1ccc(C2OC2C)cc1
- Molecular Weight1
- 234.29
- 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).
- I : 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° | -99.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.098 | Crippen Calculated Property | |
| McVol | 186.810 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| I | [2506.00; 2506.00] |
|
|
| I | 2506.00 | NIST | |
| I | 2506.00 | NIST | |
| I | 2506.00 | NIST | |
| Tboil | 656.25 | K | Joback Calculated Property |
| Tc | 872.63 | K | Joback Calculated Property |
| Tfus | 383.91 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.69; 598.71] | J/mol×K | [656.25; 872.63] |
|
| Cp,gas | 513.69 | J/mol×K | 656.25 | Joback Calculated Property |
| Cp,gas | 530.35 | J/mol×K | 692.31 | Joback Calculated Property |
| Cp,gas | 545.97 | J/mol×K | 728.38 | Joback Calculated Property |
| Cp,gas | 560.56 | J/mol×K | 764.44 | Joback Calculated Property |
| Cp,gas | 574.19 | J/mol×K | 800.50 | Joback Calculated Property |
| Cp,gas | 586.89 | J/mol×K | 836.57 | Joback Calculated Property |
| Cp,gas | 598.71 | J/mol×K | 872.63 | Joback Calculated Property |
| η | [0.0003977; 0.0019702] | Pa×s | [383.91; 656.25] |
|
| η | 0.0019702 | Pa×s | 383.91 | Joback Calculated Property |
| η | 0.0013106 | Pa×s | 429.30 | Joback Calculated Property |
| η | 0.0009425 | Pa×s | 474.69 | Joback Calculated Property |
| η | 0.0007179 | Pa×s | 520.08 | Joback Calculated Property |
| η | 0.0005713 | Pa×s | 565.47 | Joback Calculated Property |
| η | 0.0004703 | Pa×s | 610.86 | Joback Calculated Property |
| η | 0.0003977 | Pa×s | 656.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(3-Methyloxiranyl)-phenyl-2-methyl butyrate.
Sources
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