- InChI
- InChI=1S/C19H30O2/c20-18(6-5-14-3-1-2-4-14)21-13-19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,1-13H2
- InChI Key
- HTFKCXOAQAOCKI-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
-
O=C(CCC1CCCC1)OCC12CC3CC(CC(C3
)C1)C2 - Molecular Weight1
- 290.44
- 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° | 68.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.716 | Crippen Calculated Property | |
| McVol | 242.570 | ml/mol | McGowan Calculated Property |
| Pc | 1752.14 | kPa | Joback Calculated Property |
| Inp | 2263.40 | NIST | |
| Tboil | 745.75 | K | Joback Calculated Property |
| Tc | 969.41 | K | Joback Calculated Property |
| Tfus | 456.91 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [800.37; 928.74] | J/mol×K | [745.75; 969.41] | 
|
| Cp,gas | 800.37 | J/mol×K | 745.75 | Joback Calculated Property |
| Cp,gas | 823.70 | J/mol×K | 783.03 | Joback Calculated Property |
| Cp,gas | 845.96 | J/mol×K | 820.30 | Joback Calculated Property |
| Cp,gas | 867.37 | J/mol×K | 857.58 | Joback Calculated Property |
| Cp,gas | 888.15 | J/mol×K | 894.86 | Joback Calculated Property |
| Cp,gas | 908.53 | J/mol×K | 932.13 | Joback Calculated Property |
| Cp,gas | 928.74 | J/mol×K | 969.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 1-adamantylmethyl ester.
Sources
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