- InChI
- InChI=1S/C10H14O2/c1-3-5-7-9-12-10(11)8-6-4-2/h1,5,7H,4,6,8-9H2,2H3/b7-5+
- InChI Key
- KMSAKRDDKNAIBK-FNORWQNLSA-N
- Formula
- C10H14O2
- SMILES
- C#CC=CCOC(=O)CCCC
- Molecular Weight1
- 166.22
- 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 | 0.4406 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.909 | Crippen Calculated Property | |
| McVol | 146.300 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Tboil | 465.59 | K | Relay (1.0) Calculated Property |
| Tc | 657.86 | K | Relay (1.0) Calculated Property |
| Tfus | 273.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.28; 382.82] | J/mol×K | [498.77; 690.58] | 
|
| Cp,gas | 316.28 | J/mol×K | 498.77 | Joback Calculated Property |
| Cp,gas | 328.81 | J/mol×K | 530.74 | Joback Calculated Property |
| Cp,gas | 340.73 | J/mol×K | 562.71 | Joback Calculated Property |
| Cp,gas | 352.07 | J/mol×K | 594.67 | Joback Calculated Property |
| Cp,gas | 362.86 | J/mol×K | 626.64 | Joback Calculated Property |
| Cp,gas | 373.10 | J/mol×K | 658.61 | Joback Calculated Property |
| Cp,gas | 382.82 | J/mol×K | 690.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, pent-2-en-4-ynyl ester.
Sources
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