- InChI
- InChI=1S/C22H32O6/c1-4-5-6-9-15-27-21(23)16-11-7-8-12-17(16)22(24)28-20-18(25-2)13-10-14-19(20)26-3/h10,13-14,16-17H,4-9,11-12,15H2,1-3H3
- InChI Key
- FVTIQQVLQUWOJI-UHFFFAOYSA-N
- Formula
- C22H32O6
- SMILES
-
CCCCCCOC(=O)C1CCCCC1C(=O)Oc1c(
OC)cccc1OC - Molecular Weight1
- 392.49
- 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° | -433.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.539 | Crippen Calculated Property | |
| McVol | 312.840 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | [2789.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 951.70 | K | Joback Calculated Property |
| Tc | 1172.30 | K | Joback Calculated Property |
| Tfus | 581.08 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1054.21; 1115.43] | J/mol×K | [951.70; 1172.30] |
|
| Cp,gas | 1054.21 | J/mol×K | 951.70 | Joback Calculated Property |
| Cp,gas | 1069.19 | J/mol×K | 988.47 | Joback Calculated Property |
| Cp,gas | 1082.27 | J/mol×K | 1025.23 | Joback Calculated Property |
| Cp,gas | 1093.44 | J/mol×K | 1062.00 | Joback Calculated Property |
| Cp,gas | 1102.70 | J/mol×K | 1098.77 | Joback Calculated Property |
| Cp,gas | 1110.03 | J/mol×K | 1135.53 | Joback Calculated Property |
| Cp,gas | 1115.43 | J/mol×K | 1172.30 | Joback Calculated Property |
| η | [0.0000319; 0.0002666] | Pa×s | [581.08; 951.70] |
|
| η | 0.0002666 | Pa×s | 581.08 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 642.85 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 704.62 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 766.39 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 828.16 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 889.93 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 951.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl hexyl ester.
Sources
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