- InChI
- InChI=1S/C27H46O4/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-23-17-12-11-13-18-23/h11-12,23-25H,2-10,13-22H2,1H3
- InChI Key
- SWISUTBBSSMGTL-UHFFFAOYSA-N
- Formula
- C27H46O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OCC1CC=CCC1 - Molecular Weight1
- 434.65
- 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° | -220.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.85 | kJ/mol | Joback Calculated Property |
| log10WS | -7.77 | Crippen Calculated Property | |
| logPoct/wat | 7.156 | Crippen Calculated Property | |
| McVol | 380.150 | ml/mol | McGowan Calculated Property |
| Pc | 915.50 | kPa | Joback Calculated Property |
| Inp | [3144.00; 3144.00] |
|
|
| Inp | 3144.00 | NIST | |
| Inp | 3144.00 | NIST | |
| Tboil | 1003.33 | K | Joback Calculated Property |
| Tc | 1228.48 | K | Joback Calculated Property |
| Tfus | 549.65 | K | Joback Calculated Property |
| Vc | 1.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1374.56; 1455.25] | J/mol×K | [1003.33; 1228.48] |
|
| Cp,gas | 1374.56 | J/mol×K | 1003.33 | Joback Calculated Property |
| Cp,gas | 1392.92 | J/mol×K | 1040.85 | Joback Calculated Property |
| Cp,gas | 1409.25 | J/mol×K | 1078.38 | Joback Calculated Property |
| Cp,gas | 1423.58 | J/mol×K | 1115.90 | Joback Calculated Property |
| Cp,gas | 1435.99 | J/mol×K | 1153.43 | Joback Calculated Property |
| Cp,gas | 1446.53 | J/mol×K | 1190.95 | Joback Calculated Property |
| Cp,gas | 1455.25 | J/mol×K | 1228.48 | Joback Calculated Property |
| η | [0.0000286; 0.0005076] | Pa×s | [549.65; 1003.33] |
|
| η | 0.0005076 | Pa×s | 549.65 | Joback Calculated Property |
| η | 0.0002353 | Pa×s | 625.26 | Joback Calculated Property |
| η | 0.0001287 | Pa×s | 700.88 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 776.49 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 852.10 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 927.72 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 1003.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl dodecyl ester.
Sources
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