- InChI
- InChI=1S/C27H42O5/c1-3-4-5-6-7-8-9-10-11-14-21-31-26(28)24-15-12-13-16-25(24)27(29)32-23-19-17-22(30-2)18-20-23/h17-20,24-25H,3-16,21H2,1-2H3
- InChI Key
- VSSFWSSBNIUSSY-UHFFFAOYSA-N
- Formula
- C27H42O5
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)Oc1ccc(OC)cc1 - Molecular Weight1
- 446.62
- 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° | -276.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.48 | kJ/mol | Joback Calculated Property |
| log10WS | -7.71 | Crippen Calculated Property | |
| logPoct/wat | 6.871 | Crippen Calculated Property | |
| McVol | 377.420 | ml/mol | McGowan Calculated Property |
| Pc | 948.50 | kPa | Joback Calculated Property |
| Inp | [3334.00; 3334.00] |
|
|
| Inp | 3334.00 | NIST | |
| Inp | 3334.00 | NIST | |
| Tboil | 1038.70 | K | Joback Calculated Property |
| Tc | 1271.71 | K | Joback Calculated Property |
| Tfus | 602.68 | K | Joback Calculated Property |
| Vc | 1.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1333.49; 1394.47] | J/mol×K | [1038.70; 1271.71] |
|
| Cp,gas | 1333.49 | J/mol×K | 1038.70 | Joback Calculated Property |
| Cp,gas | 1348.88 | J/mol×K | 1077.54 | Joback Calculated Property |
| Cp,gas | 1362.13 | J/mol×K | 1116.37 | Joback Calculated Property |
| Cp,gas | 1373.27 | J/mol×K | 1155.21 | Joback Calculated Property |
| Cp,gas | 1382.35 | J/mol×K | 1194.04 | Joback Calculated Property |
| Cp,gas | 1389.40 | J/mol×K | 1232.88 | Joback Calculated Property |
| Cp,gas | 1394.47 | J/mol×K | 1271.71 | Joback Calculated Property |
| η | [0.0000200; 0.0002399] | Pa×s | [602.68; 1038.70] |
|
| η | 0.0002399 | Pa×s | 602.68 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 675.35 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 748.02 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 820.69 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 893.36 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 966.03 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 1038.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 4-methoxyphenyl ester.
Sources
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