- InChI
- InChI=1S/C11H16O2/c1-4-6-7-8-9-11(12)13-10(3)5-2/h2,8-10H,4,6-7H2,1,3H3/b9-8+
- InChI Key
- FUEUMTYFGBILID-CMDGGOBGSA-N
- Formula
- C11H16O2
- SMILES
- C#CC(C)OC(=O)C=CCCCC
- Molecular Weight1
- 180.24
- 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 | 0.4504 | Relay (... Calculated Property | |
| ΔfG° | 108.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.31 | kJ/mol | Relay (... Calculated Property |
| IE | 9.89 | eV | Relay (... Calculated Property |
| log10WS | -3.34 | Relay (... Calculated Property | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 160.390 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | 1688.00 | NIST | |
| Tboil | 455.89 | K | Relay (... Calculated Property |
| Tc | 650.50 | K | Relay (... Calculated Property |
| Tfus | 245.28 | K | Relay (... Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.12; 434.11] | J/mol×K | [521.21; 714.72] | 
|
| Cp,gas | 361.12 | J/mol×K | 521.21 | Joback Calculated Property |
| Cp,gas | 374.90 | J/mol×K | 553.46 | Joback Calculated Property |
| Cp,gas | 388.00 | J/mol×K | 585.71 | Joback Calculated Property |
| Cp,gas | 400.45 | J/mol×K | 617.97 | Joback Calculated Property |
| Cp,gas | 412.27 | J/mol×K | 650.22 | Joback Calculated Property |
| Cp,gas | 423.48 | J/mol×K | 682.47 | Joback Calculated Property |
| Cp,gas | 434.11 | J/mol×K | 714.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, but-3-yn-2-yl ester.
Sources
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