- InChI
- InChI=1S/C6H10O2/c1-4(2)5-3-8-6(5)7/h4-5H,3H2,1-2H3
- InChI Key
- JFLMBMOAMWVCRC-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC(C)C1COC1=O
- Molecular Weight1
- 114.14
- CAS
- 10359-02-1
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3368.00 ± 3.30 | kJ/mol | NIST |
| ΔfG° | -162.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.51 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -422.20 ± 3.30 | kJ/mol | NIST |
| ΔfusH° | 11.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.40 | kJ/mol | Joback Calculated Property |
| log10WS | -0.61 | Crippen Calculated Property | |
| logPoct/wat | 0.815 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Tboil | 442.02 | K | Joback Calculated Property |
| Tc | 655.52 | K | Joback Calculated Property |
| Tfus | 251.59 | K | Joback Calculated Property |
| Vc | 0.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.46; 261.33] | J/mol×K | [442.02; 655.52] | 
|
| Cp,gas | 194.46 | J/mol×K | 442.02 | Joback Calculated Property |
| Cp,gas | 206.93 | J/mol×K | 477.60 | Joback Calculated Property |
| Cp,gas | 218.87 | J/mol×K | 513.19 | Joback Calculated Property |
| Cp,gas | 230.28 | J/mol×K | 548.77 | Joback Calculated Property |
| Cp,gas | 241.16 | J/mol×K | 584.36 | Joback Calculated Property |
| Cp,gas | 251.50 | J/mol×K | 619.94 | Joback Calculated Property |
| Cp,gas | 261.33 | J/mol×K | 655.52 | Joback Calculated Property |
Similar Compounds
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Sources
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