- InChI
- InChI=1S/C22H33ClO4/c23-17-8-3-1-2-4-9-18-26-21(24)15-10-16-22(25)27-19-11-14-20-12-6-5-7-13-20/h5-7,12-13H,1-4,8-11,14-19H2
- InChI Key
- RHZFTOHMWLVXAS-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
O=C(CCCC(=O)OCCCc1ccccc1)OCCCC
CCCCCl - Molecular Weight1
- 396.95
- 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° | -233.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 5.455 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1153.78 | kPa | Joback Calculated Property |
| Inp | [3047.00; 3047.00] |
|
|
| Inp | 3047.00 | NIST | |
| Inp | 3047.00 | NIST | |
| Tboil | 919.45 | K | Joback Calculated Property |
| Tc | 1128.16 | K | Joback Calculated Property |
| Tfus | 538.36 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1025.13; 1100.20] | J/mol×K | [919.45; 1128.16] |
|
| Cp,gas | 1025.13 | J/mol×K | 919.45 | Joback Calculated Property |
| Cp,gas | 1040.62 | J/mol×K | 954.23 | Joback Calculated Property |
| Cp,gas | 1054.87 | J/mol×K | 989.02 | Joback Calculated Property |
| Cp,gas | 1067.91 | J/mol×K | 1023.80 | Joback Calculated Property |
| Cp,gas | 1079.79 | J/mol×K | 1058.59 | Joback Calculated Property |
| Cp,gas | 1090.53 | J/mol×K | 1093.37 | Joback Calculated Property |
| Cp,gas | 1100.20 | J/mol×K | 1128.16 | Joback Calculated Property |
| η | [0.0000345; 0.0004460] | Pa×s | [538.36; 919.45] |
|
| η | 0.0004460 | Pa×s | 538.36 | Joback Calculated Property |
| η | 0.0002325 | Pa×s | 601.88 | Joback Calculated Property |
| η | 0.0001372 | Pa×s | 665.39 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 728.90 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 792.42 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 855.93 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 919.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 3-phenylpropyl ester.
Sources
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