- InChI
- InChI=1S/C18H23ClO4/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/h4,8-9,12,14H,1-3,5-7,10-11,13H2
- InChI Key
- XFVBAGCVRSYIOY-UHFFFAOYSA-N
- Formula
- C18H23ClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC1
CCCCC1 - Molecular Weight1
- 338.83
- 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° | -251.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.539 | Crippen Calculated Property | |
| McVol | 256.980 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [2564.00; 2564.00] |
|
|
| Inp | 2564.00 | NIST | |
| Inp | 2564.00 | NIST | |
| Tboil | 852.46 | K | Joback Calculated Property |
| Tc | 1078.83 | K | Joback Calculated Property |
| Tfus | 513.18 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.42; 854.12] | J/mol×K | [852.46; 1078.83] |
|
| Cp,gas | 782.42 | J/mol×K | 852.46 | Joback Calculated Property |
| Cp,gas | 797.89 | J/mol×K | 890.19 | Joback Calculated Property |
| Cp,gas | 811.91 | J/mol×K | 927.92 | Joback Calculated Property |
| Cp,gas | 824.52 | J/mol×K | 965.64 | Joback Calculated Property |
| Cp,gas | 835.73 | J/mol×K | 1003.37 | Joback Calculated Property |
| Cp,gas | 845.59 | J/mol×K | 1041.10 | Joback Calculated Property |
| Cp,gas | 854.12 | J/mol×K | 1078.83 | Joback Calculated Property |
| η | [0.0000651; 0.0006773] | Pa×s | [513.18; 852.46] |
|
| η | 0.0006773 | Pa×s | 513.18 | Joback Calculated Property |
| η | 0.0003777 | Pa×s | 569.73 | Joback Calculated Property |
| η | 0.0002341 | Pa×s | 626.27 | Joback Calculated Property |
| η | 0.0001570 | Pa×s | 682.82 | Joback Calculated Property |
| η | 0.0001120 | Pa×s | 739.37 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 795.91 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 852.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-chlorophenyl ester.
Sources
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