- InChI
- InChI=1S/C18H31ClO4/c1-4-16(13(2)3)23-18(21)11-7-10-17(20)22-12-14-8-5-6-9-15(14)19/h13-16H,4-12H2,1-3H3
- InChI Key
- KXYWEZNXLPHRPT-UHFFFAOYSA-N
- Formula
- C18H31ClO4
- SMILES
-
CCC(OC(=O)CCCC(=O)OCC1CCCCC1Cl
)C(C)C - Molecular Weight1
- 346.89
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7765 | Relay (1.0) Calculated Property | |
| ΔfG° | -367.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1046.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.475 | Crippen Calculated Property | |
| McVol | 280.740 | ml/mol | McGowan Calculated Property |
| Pc | 1368.70 | kPa | Joback Calculated Property |
| Tboil | 646.62 | K | Relay (1.0) Calculated Property |
| Tc | 831.50 | K | Relay (1.0) Calculated Property |
| Tfus | 295.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.009 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.39; 970.29] | J/mol×K | [815.25; 1018.66] | 
|
| Cp,gas | 881.39 | J/mol×K | 815.25 | Joback Calculated Property |
| Cp,gas | 899.51 | J/mol×K | 849.15 | Joback Calculated Property |
| Cp,gas | 916.29 | J/mol×K | 883.05 | Joback Calculated Property |
| Cp,gas | 931.74 | J/mol×K | 916.95 | Joback Calculated Property |
| Cp,gas | 945.88 | J/mol×K | 950.85 | Joback Calculated Property |
| Cp,gas | 958.73 | J/mol×K | 984.75 | Joback Calculated Property |
| Cp,gas | 970.29 | J/mol×K | 1018.66 | Joback Calculated Property |
| η | [0.0000683; 0.0013677] | Pa×s | [440.00; 815.25] |
|
| η | 0.0013677 | Pa×s | 440.00 | Joback Calculated Property |
| η | 0.0006081 | Pa×s | 502.54 | Joback Calculated Property |
| η | 0.0003235 | Pa×s | 565.08 | Joback Calculated Property |
| η | 0.0001952 | Pa×s | 627.62 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 690.17 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 752.71 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 815.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 2-methylpent-3-yl ester.
Sources
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