- InChI
- InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-21(4)20(2)3/h20-23H,5-19H2,1-4H3
- InChI Key
- TWEAAHOWYWKMMF-UHFFFAOYSA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OC(C)C(C)C - 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° | -296.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.90 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 6.845 | Crippen Calculated Property | |
| McVol | 367.130 | ml/mol | McGowan Calculated Property |
| Pc | 897.49 | kPa | Joback Calculated Property |
| Inp | [2743.00; 2743.00] |
|
|
| Inp | 2743.00 | NIST | |
| Inp | 2743.00 | NIST | |
| Tboil | 937.98 | K | Joback Calculated Property |
| Tc | 1148.53 | K | Joback Calculated Property |
| Tfus | 488.97 | K | Joback Calculated Property |
| Vc | 1.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.04; 1376.91] | J/mol×K | [937.98; 1148.53] |
|
| Cp,gas | 1283.04 | J/mol×K | 937.98 | Joback Calculated Property |
| Cp,gas | 1302.89 | J/mol×K | 973.07 | Joback Calculated Property |
| Cp,gas | 1321.01 | J/mol×K | 1008.16 | Joback Calculated Property |
| Cp,gas | 1337.44 | J/mol×K | 1043.26 | Joback Calculated Property |
| Cp,gas | 1352.21 | J/mol×K | 1078.35 | Joback Calculated Property |
| Cp,gas | 1365.35 | J/mol×K | 1113.44 | Joback Calculated Property |
| Cp,gas | 1376.91 | J/mol×K | 1148.53 | Joback Calculated Property |
| η | [0.0000286; 0.0007620] | Pa×s | [488.97; 937.98] |
|
| η | 0.0007620 | Pa×s | 488.97 | Joback Calculated Property |
| η | 0.0003066 | Pa×s | 563.81 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 638.64 | Joback Calculated Property |
| η | 0.0000881 | Pa×s | 713.47 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 788.31 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 863.14 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 937.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylbut-2-yl ester.
Sources
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