- InChI
- InChI=1S/C18H21ClO4/c19-15-8-4-9-16(12-15)23-18(21)11-5-10-17(20)22-13-14-6-2-1-3-7-14/h1-2,4,8-9,12,14H,3,5-7,10-11,13H2
- InChI Key
- PNKLFKCXVHHQRV-UHFFFAOYSA-N
- Formula
- C18H21ClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC1
CC=CCC1 - Molecular Weight1
- 336.81
- 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).
- 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° | -221.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.315 | Crippen Calculated Property | |
| McVol | 252.680 | ml/mol | McGowan Calculated Property |
| Pc | 1835.69 | kPa | Joback Calculated Property |
| Tboil | 851.62 | K | Joback Calculated Property |
| Tc | 1079.39 | K | Joback Calculated Property |
| Tfus | 513.94 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.97; 821.67] | J/mol×K | [851.62; 1079.39] | 
|
| Cp,gas | 753.97 | J/mol×K | 851.62 | Joback Calculated Property |
| Cp,gas | 768.64 | J/mol×K | 889.58 | Joback Calculated Property |
| Cp,gas | 781.91 | J/mol×K | 927.54 | Joback Calculated Property |
| Cp,gas | 793.82 | J/mol×K | 965.50 | Joback Calculated Property |
| Cp,gas | 804.39 | J/mol×K | 1003.47 | Joback Calculated Property |
| Cp,gas | 813.67 | J/mol×K | 1041.43 | Joback Calculated Property |
| Cp,gas | 821.67 | J/mol×K | 1079.39 | Joback Calculated Property |
| η | [0.0000703; 0.0006713] | Pa×s | [513.94; 851.62] |
|
| η | 0.0006713 | Pa×s | 513.94 | Joback Calculated Property |
| η | 0.0003829 | Pa×s | 570.22 | Joback Calculated Property |
| η | 0.0002415 | Pa×s | 626.50 | Joback Calculated Property |
| η | 0.0001644 | Pa×s | 682.78 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 739.06 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 795.34 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 851.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl 3-chlorophenyl ester.
Sources
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