- InChI
- InChI=1S/C9H14O2/c1-4-6-7-9(10)11-8(3)5-2/h2,8H,4,6-7H2,1,3H3
- InChI Key
- OGADSAZXUBMXDM-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- C#CC(C)OC(=O)CCCC
- Molecular Weight1
- 154.21
- 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 | 0.4297 | Relay (... Calculated Property | |
| ΔfG° | 11.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.23 | kJ/mol | Relay (... Calculated Property |
| IE | 10.17 | eV | Relay (... Calculated Property |
| log10WS | -2.05 | Relay (... Calculated Property | |
| logPoct/wat | 1.742 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | [988.60; 988.60] |
|
|
| Inp | 988.60 | NIST | |
| Inp | 988.60 | NIST | |
| Tboil | 422.58 | K | Relay (... Calculated Property |
| Tc | 611.77 | K | Relay (... Calculated Property |
| Tfus | 239.43 | K | Relay (... Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.74; 356.77] | J/mol×K | [471.29; 660.70] |
|
| Cp,gas | 290.74 | J/mol×K | 471.29 | Joback Calculated Property |
| Cp,gas | 303.01 | J/mol×K | 502.86 | Joback Calculated Property |
| Cp,gas | 314.76 | J/mol×K | 534.43 | Joback Calculated Property |
| Cp,gas | 326.00 | J/mol×K | 566.00 | Joback Calculated Property |
| Cp,gas | 336.75 | J/mol×K | 597.57 | Joback Calculated Property |
| Cp,gas | 347.00 | J/mol×K | 629.13 | Joback Calculated Property |
| Cp,gas | 356.77 | J/mol×K | 660.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, but-3-yn-2-yl ester.
Sources
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