- InChI
- InChI=1S/C21H36O4/c1-14-8-10-18(12-16(14)3)24-20(22)6-5-7-21(23)25-19-11-9-15(2)17(4)13-19/h14-19H,5-13H2,1-4H3
- InChI Key
- BDKGJIBGMWWXNW-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CC1CCC(OC(=O)CCCC(=O)OC2CCC(C)
C(C)C2)CC1C - Molecular Weight1
- 352.51
- 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° | -323.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 4.893 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1219.14 | kPa | Joback Calculated Property |
| Inp | [2500.00; 2500.00] |
|
|
| Inp | 2500.00 | NIST | |
| Inp | 2500.00 | NIST | |
| Tboil | 852.88 | K | Joback Calculated Property |
| Tc | 1065.06 | K | Joback Calculated Property |
| Tfus | 468.55 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1038.35; 1137.93] | J/mol×K | [852.88; 1065.06] |
|
| Cp,gas | 1038.35 | J/mol×K | 852.88 | Joback Calculated Property |
| Cp,gas | 1059.64 | J/mol×K | 888.24 | Joback Calculated Property |
| Cp,gas | 1079.05 | J/mol×K | 923.61 | Joback Calculated Property |
| Cp,gas | 1096.57 | J/mol×K | 958.97 | Joback Calculated Property |
| Cp,gas | 1112.23 | J/mol×K | 994.34 | Joback Calculated Property |
| Cp,gas | 1126.01 | J/mol×K | 1029.70 | Joback Calculated Property |
| Cp,gas | 1137.93 | J/mol×K | 1065.06 | Joback Calculated Property |
| η | [0.0001380; 0.0012392] | Pa×s | [468.55; 852.88] |
|
| η | 0.0012392 | Pa×s | 468.55 | Joback Calculated Property |
| η | 0.0006898 | Pa×s | 532.61 | Joback Calculated Property |
| η | 0.0004355 | Pa×s | 596.66 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 660.71 | Joback Calculated Property |
| η | 0.0002215 | Pa×s | 724.77 | Joback Calculated Property |
| η | 0.0001715 | Pa×s | 788.83 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 852.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3,4-dimethylcyclohexyl) ester.
Sources
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