- InChI
- InChI=1S/C15H24O2/c1-2-3-4-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3
- InChI Key
- GUMRTIDEFRAFTH-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
- CCCCOC(=O)C12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 236.35
- 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.
- I : 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° | -1.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 197.070 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [1699.00; 1737.00] |
|
|
| Inp | 1699.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1723.00 | NIST | |
| Inp | 1737.00 | NIST | |
| Inp | 1699.00 | NIST | |
| I | 2138.00 | NIST | |
| Tboil | 638.95 | K | Joback Calculated Property |
| Tc | 850.55 | K | Joback Calculated Property |
| Tfus | 400.93 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.82; 688.29] | J/mol×K | [638.95; 850.55] |
|
| Cp,gas | 580.82 | J/mol×K | 638.95 | Joback Calculated Property |
| Cp,gas | 601.01 | J/mol×K | 674.22 | Joback Calculated Property |
| Cp,gas | 620.06 | J/mol×K | 709.48 | Joback Calculated Property |
| Cp,gas | 638.15 | J/mol×K | 744.75 | Joback Calculated Property |
| Cp,gas | 655.43 | J/mol×K | 780.02 | Joback Calculated Property |
| Cp,gas | 672.09 | J/mol×K | 815.28 | Joback Calculated Property |
| Cp,gas | 688.29 | J/mol×K | 850.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adamantane-1-carboxylic acid, butyl ester.
Sources
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