- InChI
- InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
- InChI Key
- QESPSAHXYXIGBG-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- C=CC1(C)CCC(=O)O1
- Molecular Weight1
- 126.15
- 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 | 0.3372 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.268 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Inp | [1054.00; 1054.00] |
|
|
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Tboil | 488.17 | K | Relay (1.0) Calculated Property |
| Tc | 656.29 | K | Relay (1.0) Calculated Property |
| Tfus | 228.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.01; 287.91] | J/mol×K | [466.53; 695.24] |
|
| Cp,gas | 218.01 | J/mol×K | 466.53 | Joback Calculated Property |
| Cp,gas | 231.64 | J/mol×K | 504.65 | Joback Calculated Property |
| Cp,gas | 244.35 | J/mol×K | 542.77 | Joback Calculated Property |
| Cp,gas | 256.23 | J/mol×K | 580.88 | Joback Calculated Property |
| Cp,gas | 267.38 | J/mol×K | 619.00 | Joback Calculated Property |
| Cp,gas | 277.91 | J/mol×K | 657.12 | Joback Calculated Property |
| Cp,gas | 287.91 | J/mol×K | 695.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylhex-5-en-4-olide.
Sources
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