- InChI
- InChI=1S/C27H48O4/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/h23-25H,2-22H2,1H3
- InChI Key
- YSMQZWNXWWFLLW-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OCC1CCCCC1 - Molecular Weight1
- 436.67
- 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° | -250.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.56 | kJ/mol | Joback Calculated Property |
| log10WS | -7.91 | Crippen Calculated Property | |
| logPoct/wat | 7.380 | Crippen Calculated Property | |
| McVol | 384.450 | ml/mol | McGowan Calculated Property |
| Pc | 895.87 | kPa | Joback Calculated Property |
| Inp | [3128.00; 3128.00] |
|
|
| Inp | 3128.00 | NIST | |
| Inp | 3128.00 | NIST | |
| Tboil | 1004.17 | K | Joback Calculated Property |
| Tc | 1229.43 | K | Joback Calculated Property |
| Tfus | 548.89 | K | Joback Calculated Property |
| Vc | 1.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1406.37; 1489.48] | J/mol×K | [1004.17; 1229.43] |
|
| Cp,gas | 1406.37 | J/mol×K | 1004.17 | Joback Calculated Property |
| Cp,gas | 1425.33 | J/mol×K | 1041.71 | Joback Calculated Property |
| Cp,gas | 1442.17 | J/mol×K | 1079.26 | Joback Calculated Property |
| Cp,gas | 1456.95 | J/mol×K | 1116.80 | Joback Calculated Property |
| Cp,gas | 1469.72 | J/mol×K | 1154.34 | Joback Calculated Property |
| Cp,gas | 1480.55 | J/mol×K | 1191.89 | Joback Calculated Property |
| Cp,gas | 1489.48 | J/mol×K | 1229.43 | Joback Calculated Property |
| η | [0.0000260; 0.0005055] | Pa×s | [548.89; 1004.17] |
|
| η | 0.0005055 | Pa×s | 548.89 | Joback Calculated Property |
| η | 0.0002284 | Pa×s | 624.77 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 700.65 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 776.53 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 852.41 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 928.29 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 1004.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl dodecyl ester.
Sources
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