- InChI
- InChI=1S/C13H18O2/c1-2-3-6-11-15-13(14)10-9-12-7-4-5-8-12/h1,3,6,12H,4-5,7-11H2/b6-3+
- InChI Key
- PVKOVMPZAUYZTO-ZZXKWVIFSA-N
- Formula
- C13H18O2
- SMILES
- C#CC=CCOC(=O)CCC1CCCC1
- Molecular Weight1
- 206.28
- 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 | 0.4583 | Relay (... Calculated Property | |
| ΔfG° | 164.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -3.62 | Relay (... Calculated Property | |
| logPoct/wat | 2.689 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1578.60; 1578.60] |
|
|
| Inp | 1578.60 | NIST | |
| Inp | 1578.60 | NIST | |
| Tboil | 539.55 | K | Relay (... Calculated Property |
| Tc | 755.78 | K | Relay (... Calculated Property |
| Tfus | 293.40 | K | Relay (... Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.69; 533.12] | J/mol×K | [582.69; 794.19] |
|
| Cp,gas | 443.69 | J/mol×K | 582.69 | Joback Calculated Property |
| Cp,gas | 461.03 | J/mol×K | 617.94 | Joback Calculated Property |
| Cp,gas | 477.33 | J/mol×K | 653.19 | Joback Calculated Property |
| Cp,gas | 492.64 | J/mol×K | 688.44 | Joback Calculated Property |
| Cp,gas | 507.01 | J/mol×K | 723.69 | Joback Calculated Property |
| Cp,gas | 520.49 | J/mol×K | 758.94 | Joback Calculated Property |
| Cp,gas | 533.12 | J/mol×K | 794.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, pent-2-en-4-ynyl ester.
Sources
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