- InChI
- InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-12-15-32-28(30)25-13-10-11-14-26(25)29(31)33-27-23-17-21-16-22(19-23)20-24(27)18-21/h21-27H,2-20H2,1H3
- InChI Key
- VYMVOHWZEPGDKT-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
OC1C2CC3CC(C2)CC1C3 - Molecular Weight1
- 460.69
- 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° | -103.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -925.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Joback Calculated Property |
| log10WS | -7.93 | Crippen Calculated Property | |
| logPoct/wat | 7.235 | Crippen Calculated Property | |
| McVol | 390.910 | ml/mol | McGowan Calculated Property |
| Pc | 870.68 | kPa | Joback Calculated Property |
| Inp | [3407.00; 3407.00] |
|
|
| Inp | 3407.00 | NIST | |
| Inp | 3407.00 | NIST | |
| Tboil | 1045.53 | K | Joback Calculated Property |
| Tc | 1280.07 | K | Joback Calculated Property |
| Tfus | 605.87 | K | Joback Calculated Property |
| Vc | 1.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1503.20; 1607.92] | J/mol×K | [1045.53; 1280.07] |
|
| Cp,gas | 1503.20 | J/mol×K | 1045.53 | Joback Calculated Property |
| Cp,gas | 1524.18 | J/mol×K | 1084.62 | Joback Calculated Property |
| Cp,gas | 1543.56 | J/mol×K | 1123.71 | Joback Calculated Property |
| Cp,gas | 1561.48 | J/mol×K | 1162.80 | Joback Calculated Property |
| Cp,gas | 1578.09 | J/mol×K | 1201.89 | Joback Calculated Property |
| Cp,gas | 1593.52 | J/mol×K | 1240.98 | Joback Calculated Property |
| Cp,gas | 1607.92 | J/mol×K | 1280.07 | Joback Calculated Property |
| η | [0.0009780; 0.0034701] | Pa×s | [605.87; 1045.53] |
|
| η | 0.0034701 | Pa×s | 605.87 | Joback Calculated Property |
| η | 0.0025074 | Pa×s | 679.15 | Joback Calculated Property |
| η | 0.0019301 | Pa×s | 752.42 | Joback Calculated Property |
| η | 0.0015564 | Pa×s | 825.70 | Joback Calculated Property |
| η | 0.0012998 | Pa×s | 898.98 | Joback Calculated Property |
| η | 0.0011155 | Pa×s | 972.25 | Joback Calculated Property |
| η | 0.0009780 | Pa×s | 1045.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester.
Sources
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