- InChI
- InChI=1S/C21H30O4/c1-16(2)18-11-6-7-12-19(18)25-21(23)14-8-13-20(22)24-15-17-9-4-3-5-10-17/h6-7,11-12,16-17H,3-5,8-10,13-15H2,1-2H3
- InChI Key
- NLOFNTXSKKTZPJ-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
CC(C)c1ccccc1OC(=O)CCCC(=O)OCC
1CCCCC1 - Molecular Weight1
- 346.46
- 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° | -217.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 5.009 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1464.61 | kPa | Joback Calculated Property |
| Inp | [2542.00; 2542.00] |
|
|
| Inp | 2542.00 | NIST | |
| Inp | 2542.00 | NIST | |
| Tboil | 883.23 | K | Joback Calculated Property |
| Tc | 1103.85 | K | Joback Calculated Property |
| Tfus | 502.07 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.97; 1012.74] | J/mol×K | [883.23; 1103.85] |
|
| Cp,gas | 932.97 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 950.02 | J/mol×K | 920.00 | Joback Calculated Property |
| Cp,gas | 965.53 | J/mol×K | 956.77 | Joback Calculated Property |
| Cp,gas | 979.52 | J/mol×K | 993.54 | Joback Calculated Property |
| Cp,gas | 992.03 | J/mol×K | 1030.31 | Joback Calculated Property |
| Cp,gas | 1003.09 | J/mol×K | 1067.08 | Joback Calculated Property |
| Cp,gas | 1012.74 | J/mol×K | 1103.85 | Joback Calculated Property |
| η | [0.0000450; 0.0006857] | Pa×s | [502.07; 883.23] |
|
| η | 0.0006857 | Pa×s | 502.07 | Joback Calculated Property |
| η | 0.0003375 | Pa×s | 565.60 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 629.12 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 692.65 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 756.18 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 819.70 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 883.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-isopropylphenyl ester.
Sources
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