- InChI
- InChI=1S/C11H16O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h2,6,8H,3,5,7,9-10H2,1H3
- InChI Key
- AIHFDXYXTHADDO-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- C#CC=CCOC(=O)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 | 0.4840 | Relay (1.0) Calculated Property | |
| ΔfG° | 111.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.299 | Crippen Calculated Property | |
| McVol | 160.390 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | 1304.00 | NIST | |
| Tboil | 483.20 | K | Relay (1.0) Calculated Property |
| Tc | 676.96 | K | Relay (1.0) Calculated Property |
| Tfus | 282.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.84; 432.24] | J/mol×K | [521.65; 711.16] | 
|
| Cp,gas | 360.84 | J/mol×K | 521.65 | Joback Calculated Property |
| Cp,gas | 374.28 | J/mol×K | 553.24 | Joback Calculated Property |
| Cp,gas | 387.06 | J/mol×K | 584.82 | Joback Calculated Property |
| Cp,gas | 399.23 | J/mol×K | 616.41 | Joback Calculated Property |
| Cp,gas | 410.80 | J/mol×K | 647.99 | Joback Calculated Property |
| Cp,gas | 421.79 | J/mol×K | 679.58 | Joback Calculated Property |
| Cp,gas | 432.24 | J/mol×K | 711.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, pent-2-en-4-ynyl ester.
Sources
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