- InChI
- InChI=1S/C21H36O5/c1-2-3-4-5-6-9-14-25-20(22)18-12-7-8-13-19(18)21(23)26-16-17-11-10-15-24-17/h17-19H,2-16H2,1H3
- InChI Key
- QYTUZABTSGPWQH-UHFFFAOYSA-N
- Formula
- C21H36O5
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC
1CCCO1 - Molecular Weight1
- 368.51
- 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° | -374.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.419 | Crippen Calculated Property | |
| McVol | 305.780 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | [2629.00; 2629.00] |
|
|
| Inp | 2629.00 | NIST | |
| Inp | 2629.00 | NIST | |
| Tboil | 889.57 | K | Joback Calculated Property |
| Tc | 1100.29 | K | Joback Calculated Property |
| Tfus | 511.36 | K | Joback Calculated Property |
| Vc | 1.153 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.80; 1147.63] | J/mol×K | [889.57; 1100.29] |
|
| Cp,gas | 1058.80 | J/mol×K | 889.57 | Joback Calculated Property |
| Cp,gas | 1077.55 | J/mol×K | 924.69 | Joback Calculated Property |
| Cp,gas | 1094.67 | J/mol×K | 959.81 | Joback Calculated Property |
| Cp,gas | 1110.21 | J/mol×K | 994.93 | Joback Calculated Property |
| Cp,gas | 1124.20 | J/mol×K | 1030.05 | Joback Calculated Property |
| Cp,gas | 1136.66 | J/mol×K | 1065.17 | Joback Calculated Property |
| Cp,gas | 1147.63 | J/mol×K | 1100.29 | Joback Calculated Property |
| η | [0.0000790; 0.0009887] | Pa×s | [511.36; 889.57] |
|
| η | 0.0009887 | Pa×s | 511.36 | Joback Calculated Property |
| η | 0.0005151 | Pa×s | 574.39 | Joback Calculated Property |
| η | 0.0003052 | Pa×s | 637.43 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 700.46 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 763.50 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 826.53 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 889.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, furfuryl octyl ester.
Sources
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