- InChI
- InChI=1S/C14H18O2/c1-4-6-12-7-9-13(10-8-12)16-14(15)11(3)5-2/h4,6-11H,5H2,1-3H3/b6-4+
- InChI Key
- QVAWDXCSFUFEAT-GQCTYLIASA-N
- Formula
- C14H18O2
- SMILES
- CC=Cc1ccc(OC(=O)C(C)CC)cc1
- 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).
- 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° | 13.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 3.671 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| I | [2284.00; 2284.00] |
|
|
| I | 2284.00 | NIST | |
| I | 2284.00 | NIST | |
| I | 2284.00 | NIST | |
| Tboil | 631.39 | K | Joback Calculated Property |
| Tc | 844.45 | K | Joback Calculated Property |
| Tfus | 338.56 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.31; 555.54] | J/mol×K | [631.39; 844.45] |
|
| Cp,gas | 473.31 | J/mol×K | 631.39 | Joback Calculated Property |
| Cp,gas | 489.29 | J/mol×K | 666.90 | Joback Calculated Property |
| Cp,gas | 504.31 | J/mol×K | 702.41 | Joback Calculated Property |
| Cp,gas | 518.41 | J/mol×K | 737.92 | Joback Calculated Property |
| Cp,gas | 531.62 | J/mol×K | 773.43 | Joback Calculated Property |
| Cp,gas | 543.99 | J/mol×K | 808.94 | Joback Calculated Property |
| Cp,gas | 555.54 | J/mol×K | 844.45 | Joback Calculated Property |
| η | [0.0001195; 0.0018328] | Pa×s | [338.56; 631.39] |
|
| η | 0.0018328 | Pa×s | 338.56 | Joback Calculated Property |
| η | 0.0008729 | Pa×s | 387.37 | Joback Calculated Property |
| η | 0.0004908 | Pa×s | 436.17 | Joback Calculated Property |
| η | 0.0003099 | Pa×s | 484.98 | Joback Calculated Property |
| η | 0.0002128 | Pa×s | 533.78 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 582.59 | Joback Calculated Property |
| η | 0.0001195 | Pa×s | 631.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(1-Propenyl)-phenyl-2-methyl butyrate.
Sources
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