- InChI
- InChI=1S/C17H18O2/c18-17(19-16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2
- InChI Key
- QGHHZJILQNWGDF-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
- O=C(CCCCc1ccccc1)Oc1ccccc1
- Molecular Weight1
- 254.32
- 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° | 83.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 4.005 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Inp | [2106.00; 2106.00] |
|
|
| Inp | 2106.00 | NIST | |
| Inp | 2106.00 | NIST | |
| Tboil | 718.01 | K | Joback Calculated Property |
| Tc | 946.64 | K | Joback Calculated Property |
| Tfus | 406.35 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.19; 653.31] | J/mol×K | [718.01; 946.64] |
|
| Cp,gas | 572.19 | J/mol×K | 718.01 | Joback Calculated Property |
| Cp,gas | 588.63 | J/mol×K | 756.11 | Joback Calculated Property |
| Cp,gas | 603.83 | J/mol×K | 794.22 | Joback Calculated Property |
| Cp,gas | 617.83 | J/mol×K | 832.32 | Joback Calculated Property |
| Cp,gas | 630.71 | J/mol×K | 870.43 | Joback Calculated Property |
| Cp,gas | 642.51 | J/mol×K | 908.53 | Joback Calculated Property |
| Cp,gas | 653.31 | J/mol×K | 946.64 | Joback Calculated Property |
| η | [0.0001091; 0.0013370] | Pa×s | [406.35; 718.01] |
|
| η | 0.0013370 | Pa×s | 406.35 | Joback Calculated Property |
| η | 0.0006949 | Pa×s | 458.29 | Joback Calculated Property |
| η | 0.0004126 | Pa×s | 510.24 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 562.18 | Joback Calculated Property |
| η | 0.0001896 | Pa×s | 614.12 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 666.07 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 718.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, phenyl ester.
Sources
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