- InChI
- InChI=1S/C22H19ClO4/c23-19-7-3-8-20(14-19)27-22(25)10-4-9-21(24)26-15-16-11-12-17-5-1-2-6-18(17)13-16/h1-3,5-8,11-14H,4,9-10,15H2
- InChI Key
- HKADCJOEKOFVBN-UHFFFAOYSA-N
- Formula
- C22H19ClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 382.84
- 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° | -33.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.312 | Crippen Calculated Property | |
| McVol | 280.980 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Inp | [3235.00; 3235.00] |
|
|
| Inp | 3235.00 | NIST | |
| Inp | 3235.00 | NIST | |
| Tboil | 975.07 | K | Joback Calculated Property |
| Tc | 1217.08 | K | Joback Calculated Property |
| Tfus | 622.52 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.46; 890.40] | J/mol×K | [975.07; 1217.08] |
|
| Cp,gas | 836.46 | J/mol×K | 975.07 | Joback Calculated Property |
| Cp,gas | 847.99 | J/mol×K | 1015.40 | Joback Calculated Property |
| Cp,gas | 858.39 | J/mol×K | 1055.74 | Joback Calculated Property |
| Cp,gas | 867.74 | J/mol×K | 1096.07 | Joback Calculated Property |
| Cp,gas | 876.14 | J/mol×K | 1136.41 | Joback Calculated Property |
| Cp,gas | 883.67 | J/mol×K | 1176.74 | Joback Calculated Property |
| Cp,gas | 890.40 | J/mol×K | 1217.08 | Joback Calculated Property |
| η | [0.0000774; 0.0004312] | Pa×s | [622.52; 975.07] |
|
| η | 0.0004312 | Pa×s | 622.52 | Joback Calculated Property |
| η | 0.0002863 | Pa×s | 681.28 | Joback Calculated Property |
| η | 0.0002028 | Pa×s | 740.04 | Joback Calculated Property |
| η | 0.0001512 | Pa×s | 798.79 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 857.55 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 916.31 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 975.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl (2-naphthyl)methyl ester.
Sources
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