- InChI
- InChI=1S/C21H38O4/c1-4-5-6-7-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-11-12-17(2)3/h17-19H,4-16H2,1-3H3
- InChI Key
- XHROFWQSRSEREH-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)OCCC
C(C)C - Molecular Weight1
- 354.52
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8861 | Relay (1.0) Calculated Property | |
| ΔfG° | -327.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1050.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.286 | Crippen Calculated Property | |
| McVol | 310.770 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | 2363.00 | NIST | |
| Tboil | 627.55 | K | Relay (1.0) Calculated Property |
| Tc | 830.76 | K | Relay (1.0) Calculated Property |
| Tfus | 287.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.42; 1127.60] | J/mol×K | [846.90; 1044.97] | 
|
| Cp,gas | 1031.42 | J/mol×K | 846.90 | Joback Calculated Property |
| Cp,gas | 1050.90 | J/mol×K | 879.91 | Joback Calculated Property |
| Cp,gas | 1068.97 | J/mol×K | 912.92 | Joback Calculated Property |
| Cp,gas | 1085.66 | J/mol×K | 945.93 | Joback Calculated Property |
| Cp,gas | 1100.98 | J/mol×K | 978.95 | Joback Calculated Property |
| Cp,gas | 1114.96 | J/mol×K | 1011.96 | Joback Calculated Property |
| Cp,gas | 1127.60 | J/mol×K | 1044.97 | Joback Calculated Property |
| η | [0.0000563; 0.0010593] | Pa×s | [458.89; 846.90] |
|
| η | 0.0010593 | Pa×s | 458.89 | Joback Calculated Property |
| η | 0.0004803 | Pa×s | 523.56 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 588.23 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 652.89 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 717.56 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 782.23 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 846.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl isohexyl ester.
Sources
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