- InChI
- InChI=1S/C18H30O4/c1-13(2)12-21-17(19)15-10-6-7-11-16(15)18(20)22-14-8-4-3-5-9-14/h13-16H,3-12H2,1-2H3
- InChI Key
- IDGQDODXHJFNKL-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
CC(C)COC(=O)C1CCCCC1C(=O)OC1CC
CCC1 - Molecular Weight1
- 310.43
- 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° | -328.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 257.640 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | [2139.00; 2139.00] |
|
|
| Inp | 2139.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Tboil | 797.81 | K | Joback Calculated Property |
| Tc | 1018.41 | K | Joback Calculated Property |
| Tfus | 432.46 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.01; 946.42] | J/mol×K | [797.81; 1018.41] |
|
| Cp,gas | 846.01 | J/mol×K | 797.81 | Joback Calculated Property |
| Cp,gas | 867.01 | J/mol×K | 834.58 | Joback Calculated Property |
| Cp,gas | 886.28 | J/mol×K | 871.34 | Joback Calculated Property |
| Cp,gas | 903.84 | J/mol×K | 908.11 | Joback Calculated Property |
| Cp,gas | 919.70 | J/mol×K | 944.87 | Joback Calculated Property |
| Cp,gas | 933.89 | J/mol×K | 981.64 | Joback Calculated Property |
| Cp,gas | 946.42 | J/mol×K | 1018.41 | Joback Calculated Property |
| η | [0.0000887; 0.0016860] | Pa×s | [432.46; 797.81] |
|
| η | 0.0016860 | Pa×s | 432.46 | Joback Calculated Property |
| η | 0.0007624 | Pa×s | 493.35 | Joback Calculated Property |
| η | 0.0004105 | Pa×s | 554.24 | Joback Calculated Property |
| η | 0.0002498 | Pa×s | 615.13 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 676.03 | Joback Calculated Property |
| η | 0.0001184 | Pa×s | 736.92 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 797.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexyl isobutyl ester.
Sources
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