- InChI
- InChI=1S/C22H32O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-6,11-12,19-20H,2-3,7-10,13-17H2,1H3
- InChI Key
- XNGQHDLQLBWWOB-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)OCCCc1
ccccc1 - Molecular Weight1
- 360.49
- 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 | 0.8651 | Relay (1.0) Calculated Property | |
| ΔfG° | -357.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -803.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.702 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1260.16 | kPa | Joback Calculated Property |
| Inp | [2648.00; 2648.00] |
|
|
| Inp | 2648.00 | NIST | |
| Inp | 2648.00 | NIST | |
| Tboil | 667.67 | K | Relay (1.0) Calculated Property |
| Tc | 889.56 | K | Relay (1.0) Calculated Property |
| Tfus | 302.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.95; 1066.09] | J/mol×K | [860.96; 1073.04] |
|
| Cp,gas | 982.95 | J/mol×K | 860.96 | Joback Calculated Property |
| Cp,gas | 1000.78 | J/mol×K | 896.31 | Joback Calculated Property |
| Cp,gas | 1016.96 | J/mol×K | 931.65 | Joback Calculated Property |
| Cp,gas | 1031.55 | J/mol×K | 967.00 | Joback Calculated Property |
| Cp,gas | 1044.57 | J/mol×K | 1002.34 | Joback Calculated Property |
| Cp,gas | 1056.07 | J/mol×K | 1037.69 | Joback Calculated Property |
| Cp,gas | 1066.09 | J/mol×K | 1073.04 | Joback Calculated Property |
| η | [0.0000419; 0.0010593] | Pa×s | [451.92; 860.96] |
|
| η | 0.0010593 | Pa×s | 451.92 | Joback Calculated Property |
| η | 0.0004346 | Pa×s | 520.09 | Joback Calculated Property |
| η | 0.0002192 | Pa×s | 588.27 | Joback Calculated Property |
| η | 0.0001275 | Pa×s | 656.44 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 724.61 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 792.79 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 860.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, pentyl 3-phenylpropyl ester.
Sources
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