- InChI
- InChI=1S/C25H40O4/c1-2-3-4-5-8-11-28-24(26)21-9-6-7-10-22(21)25(27)29-23-19-13-17-12-18(15-19)16-20(23)14-17/h17-23H,2-16H2,1H3
- InChI Key
- PRINMDXCNOUEAK-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)OC1C
2CC3CC(C2)CC1C3 - Molecular Weight1
- 404.58
- 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° | -136.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.674 | Crippen Calculated Property | |
| McVol | 334.550 | ml/mol | McGowan Calculated Property |
| Pc | 1107.42 | kPa | Joback Calculated Property |
| Inp | [2975.00; 2975.00] |
|
|
| Inp | 2975.00 | NIST | |
| Inp | 2975.00 | NIST | |
| Tboil | 954.01 | K | Joback Calculated Property |
| Tc | 1175.02 | K | Joback Calculated Property |
| Tfus | 560.79 | K | Joback Calculated Property |
| Vc | 1.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1244.82; 1347.15] | J/mol×K | [954.01; 1175.02] |
|
| Cp,gas | 1244.82 | J/mol×K | 954.01 | Joback Calculated Property |
| Cp,gas | 1265.33 | J/mol×K | 990.85 | Joback Calculated Property |
| Cp,gas | 1284.31 | J/mol×K | 1027.68 | Joback Calculated Property |
| Cp,gas | 1301.88 | J/mol×K | 1064.52 | Joback Calculated Property |
| Cp,gas | 1318.14 | J/mol×K | 1101.35 | Joback Calculated Property |
| Cp,gas | 1333.19 | J/mol×K | 1138.19 | Joback Calculated Property |
| Cp,gas | 1347.15 | J/mol×K | 1175.02 | Joback Calculated Property |
| η | [0.0015166; 0.0043964] | Pa×s | [560.79; 954.01] |
|
| η | 0.0043964 | Pa×s | 560.79 | Joback Calculated Property |
| η | 0.0033555 | Pa×s | 626.33 | Joback Calculated Property |
| η | 0.0026956 | Pa×s | 691.86 | Joback Calculated Property |
| η | 0.0022490 | Pa×s | 757.40 | Joback Calculated Property |
| η | 0.0019314 | Pa×s | 822.94 | Joback Calculated Property |
| η | 0.0016963 | Pa×s | 888.47 | Joback Calculated Property |
| η | 0.0015166 | Pa×s | 954.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl heptyl ester.
Sources
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