- InChI
- InChI=1S/C7H12O2/c1-5(2)6-3-4-7(8)9-6/h5-6H,3-4H2,1-2H3
- InChI Key
- XTFLBVQDKFPSCS-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CC(C)C1CCC(=O)O1
- Molecular Weight1
- 128.17
- 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).
- I : 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 | 0.4017 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| I | [1671.00; 1671.00] |
|
|
| I | 1671.00 | NIST | |
| I | 1671.00 | NIST | |
| Tboil | 509.70 | K | Relay (1.0) Calculated Property |
| Tc | 665.86 | K | Relay (1.0) Calculated Property |
| Tfus | 218.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.44; 312.96] | J/mol×K | [469.17; 688.18] |
|
| Cp,gas | 234.44 | J/mol×K | 469.17 | Joback Calculated Property |
| Cp,gas | 249.18 | J/mol×K | 505.67 | Joback Calculated Property |
| Cp,gas | 263.26 | J/mol×K | 542.17 | Joback Calculated Property |
| Cp,gas | 276.68 | J/mol×K | 578.68 | Joback Calculated Property |
| Cp,gas | 289.44 | J/mol×K | 615.18 | Joback Calculated Property |
| Cp,gas | 301.53 | J/mol×K | 651.68 | Joback Calculated Property |
| Cp,gas | 312.96 | J/mol×K | 688.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dihydro-5-isopropyl-3(2H)-furanone.
Sources
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