- InChI
- InChI=1S/C18H20O2/c1-15-8-7-12-17(14-15)20-18(19)13-6-5-11-16-9-3-2-4-10-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3
- InChI Key
- XITFYZFKGYNNNR-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
- Cc1cccc(OC(=O)CCCCc2ccccc2)c1
- Molecular Weight1
- 268.35
- 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° | 81.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | [2211.00; 2211.00] |
|
|
| Inp | 2211.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Tboil | 745.87 | K | Joback Calculated Property |
| Tc | 971.40 | K | Joback Calculated Property |
| Tfus | 430.14 | K | Joback Calculated Property |
| Vc | 0.852 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.86; 707.72] | J/mol×K | [745.87; 971.40] |
|
| Cp,gas | 625.86 | J/mol×K | 745.87 | Joback Calculated Property |
| Cp,gas | 642.38 | J/mol×K | 783.46 | Joback Calculated Property |
| Cp,gas | 657.68 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 671.82 | J/mol×K | 858.63 | Joback Calculated Property |
| Cp,gas | 684.83 | J/mol×K | 896.22 | Joback Calculated Property |
| Cp,gas | 696.78 | J/mol×K | 933.81 | Joback Calculated Property |
| Cp,gas | 707.72 | J/mol×K | 971.40 | Joback Calculated Property |
| η | [0.0000971; 0.0010197] | Pa×s | [430.14; 745.87] |
|
| η | 0.0010197 | Pa×s | 430.14 | Joback Calculated Property |
| η | 0.0005566 | Pa×s | 482.76 | Joback Calculated Property |
| η | 0.0003422 | Pa×s | 535.38 | Joback Calculated Property |
| η | 0.0002295 | Pa×s | 588.00 | Joback Calculated Property |
| η | 0.0001644 | Pa×s | 640.63 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 693.25 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 745.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, 3-methylphenyl ester.
Sources
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