- InChI
- InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-23-21(22)18-17-20-15-12-13-16-20/h20H,2-10,12-13,15-19H2,1H3
- InChI Key
- NCWPOQRAVJVACR-UHFFFAOYSA-N
- Formula
- C21H36O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCC1CCCC1
- Molecular Weight1
- 320.52
- 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 | 0.8098 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.034 | Crippen Calculated Property | |
| McVol | 294.730 | ml/mol | McGowan Calculated Property |
| Pc | 1198.13 | kPa | Joback Calculated Property |
| Inp | [2371.00; 2371.00] |
|
|
| Inp | 2371.00 | NIST | |
| Inp | 2371.00 | NIST | |
| Tboil | 621.12 | K | Relay (1.0) Calculated Property |
| Tc | 833.50 | K | Relay (1.0) Calculated Property |
| Tfus | 268.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.69; 1014.03] | J/mol×K | [762.58; 955.67] |
|
| Cp,gas | 907.69 | J/mol×K | 762.58 | Joback Calculated Property |
| Cp,gas | 928.29 | J/mol×K | 794.76 | Joback Calculated Property |
| Cp,gas | 947.69 | J/mol×K | 826.94 | Joback Calculated Property |
| Cp,gas | 965.93 | J/mol×K | 859.12 | Joback Calculated Property |
| Cp,gas | 983.03 | J/mol×K | 891.31 | Joback Calculated Property |
| Cp,gas | 999.06 | J/mol×K | 923.49 | Joback Calculated Property |
| Cp,gas | 1014.03 | J/mol×K | 955.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-cyclopentylpropionic acid, tridec-2-ynyl ester.
Sources
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