- InChI
- InChI=1S/C17H17ClO2/c18-15-10-12-16(13-11-15)20-17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2
- InChI Key
- QTDNOYVRUFYGHX-UHFFFAOYSA-N
- Formula
- C17H17ClO2
- SMILES
- O=C(CCCCc1ccccc1)Oc1ccc(Cl)cc1
- Molecular Weight1
- 288.77
- 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° | 61.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.658 | Crippen Calculated Property | |
| McVol | 222.550 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | [2272.00; 2272.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Tboil | 760.42 | K | Joback Calculated Property |
| Tc | 992.42 | K | Joback Calculated Property |
| Tfus | 448.79 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.51; 670.31] | J/mol×K | [760.42; 992.42] |
|
| Cp,gas | 597.51 | J/mol×K | 760.42 | Joback Calculated Property |
| Cp,gas | 612.43 | J/mol×K | 799.09 | Joback Calculated Property |
| Cp,gas | 626.16 | J/mol×K | 837.75 | Joback Calculated Property |
| Cp,gas | 638.76 | J/mol×K | 876.42 | Joback Calculated Property |
| Cp,gas | 650.28 | J/mol×K | 915.09 | Joback Calculated Property |
| Cp,gas | 660.78 | J/mol×K | 953.76 | Joback Calculated Property |
| Cp,gas | 670.31 | J/mol×K | 992.42 | Joback Calculated Property |
| η | [0.0000989; 0.0009408] | Pa×s | [448.79; 760.42] |
|
| η | 0.0009408 | Pa×s | 448.79 | Joback Calculated Property |
| η | 0.0005320 | Pa×s | 500.73 | Joback Calculated Property |
| η | 0.0003349 | Pa×s | 552.67 | Joback Calculated Property |
| η | 0.0002282 | Pa×s | 604.61 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 656.54 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 708.48 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 760.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, 4-chlorophenyl ester.
Sources
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