- InChI
- InChI=1S/C7H12O/c1-6-4-7(2,3)8-5-6/h5H,4H2,1-3H3
- InChI Key
- NIPHHMGADJGWBB-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CC1=COC(C)(C)C1
- Molecular Weight1
- 112.17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -26.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 2.089 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Inp | 793.00 | NIST | |
| Tboil | 406.17 | K | Joback Calculated Property |
| Tc | 613.73 | K | Joback Calculated Property |
| Tfus | 243.30 | K | Joback Calculated Property |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.19; 263.30] | J/mol×K | [406.17; 613.73] | 
|
| Cp,gas | 194.19 | J/mol×K | 406.17 | Joback Calculated Property |
| Cp,gas | 207.91 | J/mol×K | 440.76 | Joback Calculated Property |
| Cp,gas | 220.63 | J/mol×K | 475.36 | Joback Calculated Property |
| Cp,gas | 232.43 | J/mol×K | 509.95 | Joback Calculated Property |
| Cp,gas | 243.41 | J/mol×K | 544.54 | Joback Calculated Property |
| Cp,gas | 253.67 | J/mol×K | 579.14 | Joback Calculated Property |
| Cp,gas | 263.30 | J/mol×K | 613.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Furan, 2,3-dihydro-2,2,4-trimethyl.
Sources
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