- InChI
- InChI=1S/C20H32O2/c21-19(6-5-15-3-1-2-4-15)22-8-7-20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,1-14H2
- InChI Key
- YYNSVXZFHKVVBJ-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
-
O=C(CCC1CCCC1)OCCC12CC3CC(CC(C
3)C1)C2 - Molecular Weight1
- 304.47
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6633 | Relay (... Calculated Property | |
| ΔfG° | 77.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.35 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -6.21 | Relay (... Calculated Property | |
| logPoct/wat | 5.107 | Crippen Calculated Property | |
| McVol | 256.660 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | 2391.00 | NIST | |
| Tboil | 654.77 | K | Relay (... Calculated Property |
| Tc | 905.89 | K | Relay (... Calculated Property |
| Tfus | 409.32 | K | Relay (... Calculated Property |
| Vc | 0.971 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.21; 990.72] | J/mol×K | [768.63; 989.02] | 
|
| Cp,gas | 860.21 | J/mol×K | 768.63 | Joback Calculated Property |
| Cp,gas | 883.69 | J/mol×K | 805.36 | Joback Calculated Property |
| Cp,gas | 906.18 | J/mol×K | 842.09 | Joback Calculated Property |
| Cp,gas | 927.91 | J/mol×K | 878.82 | Joback Calculated Property |
| Cp,gas | 949.10 | J/mol×K | 915.55 | Joback Calculated Property |
| Cp,gas | 969.96 | J/mol×K | 952.29 | Joback Calculated Property |
| Cp,gas | 990.72 | J/mol×K | 989.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester.
Sources
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