- InChI
- InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h3-8,11H2,1-2H3
- InChI Key
- FSXFHENNXHPKBA-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CCCCCCC#CC(=O)OCCC
- Molecular Weight1
- 196.29
- CAS
- 15860-54-5
- 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).
- 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 | 0.5981 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.913 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Tboil | 516.15 | K | Relay (1.0) Calculated Property |
| Tc | 676.21 | K | Relay (1.0) Calculated Property |
| Tfus | 239.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.14; 509.52] | J/mol×K | [559.25; 748.13] | 
|
| Cp,gas | 428.14 | J/mol×K | 559.25 | Joback Calculated Property |
| Cp,gas | 443.28 | J/mol×K | 590.73 | Joback Calculated Property |
| Cp,gas | 457.78 | J/mol×K | 622.21 | Joback Calculated Property |
| Cp,gas | 471.65 | J/mol×K | 653.69 | Joback Calculated Property |
| Cp,gas | 484.89 | J/mol×K | 685.17 | Joback Calculated Property |
| Cp,gas | 497.51 | J/mol×K | 716.65 | Joback Calculated Property |
| Cp,gas | 509.52 | J/mol×K | 748.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Non-2-ynoic acid propyl ester.
Sources
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