- InChI
- InChI=1S/C24H40O4/c1-5-7-9-11-27-19(25)23-14-21(3)13-22(4,15-23)17-24(16-21,18-23)20(26)28-12-10-8-6-2/h5-18H2,1-4H3
- InChI Key
- HBCLIUNHVUWZBQ-UHFFFAOYSA-N
- Formula
- C24H40O4
- SMILES
-
CCCCCOC(=O)C12CC3(C)CC(C)(C1)C
C(C(=O)OCCCCC)(C3)C2 - Molecular Weight1
- 392.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -176.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.33 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 331.320 | ml/mol | McGowan Calculated Property |
| Pc | 1215.74 | kPa | Joback Calculated Property |
| Inp | [2255.00; 2255.00] |
|
|
| Inp | 2255.00 | NIST | |
| Inp | 2255.00 | NIST | |
| Tboil | 921.88 | K | Joback Calculated Property |
| Tc | 1139.57 | K | Joback Calculated Property |
| Tfus | 646.22 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1177.05; 1413.05] | J/mol×K | [921.88; 1139.57] |
|
| Cp,gas | 1177.05 | J/mol×K | 921.88 | Joback Calculated Property |
| Cp,gas | 1209.44 | J/mol×K | 958.16 | Joback Calculated Property |
| Cp,gas | 1244.00 | J/mol×K | 994.44 | Joback Calculated Property |
| Cp,gas | 1281.19 | J/mol×K | 1030.72 | Joback Calculated Property |
| Cp,gas | 1321.46 | J/mol×K | 1067.00 | Joback Calculated Property |
| Cp,gas | 1365.26 | J/mol×K | 1103.29 | Joback Calculated Property |
| Cp,gas | 1413.05 | J/mol×K | 1139.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adamantane, 3,7-dimethyl-, 1,5-dicarboxylic acid, dipentyl ester.
Sources
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