- InChI
- InChI=1S/C25H46O4/c1-4-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(3)5-2/h21-23H,4-20H2,1-3H3
- InChI Key
- MEPLAXCWJWWWLR-UHFFFAOYSA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OCC(C)CC - Molecular Weight1
- 410.63
- 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° | -293.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1020.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.29 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 6.846 | Crippen Calculated Property | |
| McVol | 367.130 | ml/mol | McGowan Calculated Property |
| Pc | 893.20 | kPa | Joback Calculated Property |
| Inp | [2785.00; 2785.00] |
|
|
| Inp | 2785.00 | NIST | |
| Inp | 2785.00 | NIST | |
| Tboil | 938.42 | K | Joback Calculated Property |
| Tc | 1148.91 | K | Joback Calculated Property |
| Tfus | 503.97 | K | Joback Calculated Property |
| Vc | 1.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1282.66; 1376.89] | J/mol×K | [938.42; 1148.91] |
|
| Cp,gas | 1282.66 | J/mol×K | 938.42 | Joback Calculated Property |
| Cp,gas | 1302.54 | J/mol×K | 973.50 | Joback Calculated Property |
| Cp,gas | 1320.70 | J/mol×K | 1008.58 | Joback Calculated Property |
| Cp,gas | 1337.18 | J/mol×K | 1043.67 | Joback Calculated Property |
| Cp,gas | 1352.01 | J/mol×K | 1078.75 | Joback Calculated Property |
| Cp,gas | 1365.24 | J/mol×K | 1113.83 | Joback Calculated Property |
| Cp,gas | 1376.89 | J/mol×K | 1148.91 | Joback Calculated Property |
| η | [0.0000313; 0.0006590] | Pa×s | [503.97; 938.42] |
|
| η | 0.0006590 | Pa×s | 503.97 | Joback Calculated Property |
| η | 0.0002884 | Pa×s | 576.38 | Joback Calculated Property |
| η | 0.0001518 | Pa×s | 648.79 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 721.19 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 793.60 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 866.01 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 938.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylbutyl ester.
Sources
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