- InChI
- InChI=1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3
- InChI Key
- NPHAVLULUWJQAS-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC1(C)CCC(=O)O1
- Molecular Weight1
- 114.14
- CAS
- 3123-97-5
- Other Names
-
- 4-Methylpentan-4-olide
- Isocaprolactone
- «gamma»-Isocaprolactone
- «gamma»-Methyl-«gamma»-valerolactone
- «gamma»,«gamma»-Dimethyl-«gamma»-butyrolactone
- «gamma»,«gamma»-Dimethylbutyrolactone
- Dihydro-5,5-dimethyl-2(3H)-furanone
- Tetrahydro-5,5-dimethyl-2-furanone
- 4-Methyl-4-hydroxypentanoic acid lactone
- 4-Methyl-4-pentanolide
- 4,4-dimethylbutan-4-olide
- 5,5-Dimethyldihydrofuran-2(3H)-one
- Pentanoic acid 4-hydroxy 4-methyl-«gamma»-lactone
- Valeric acid, 4-hydroxy-4-methyl-, g-lactone
- 5,5-Dimethyldihydro-2(3H)-furanone
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.3595 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | 991.70 | NIST | |
| I | [1615.00; 1628.00] |
|
|
| I | 1628.00 | NIST | |
| I | 1615.00 | NIST | |
| Tboil | 470.26 | K | Relay (1.0) Calculated Property |
| Tc | 635.48 | K | Relay (1.0) Calculated Property |
| Tfus | 269.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.83; 261.89] | J/mol×K | [446.97; 673.94] |
|
| Cp,gas | 193.83 | J/mol×K | 446.97 | Joback Calculated Property |
| Cp,gas | 207.04 | J/mol×K | 484.80 | Joback Calculated Property |
| Cp,gas | 219.39 | J/mol×K | 522.63 | Joback Calculated Property |
| Cp,gas | 230.96 | J/mol×K | 560.45 | Joback Calculated Property |
| Cp,gas | 241.84 | J/mol×K | 598.28 | Joback Calculated Property |
| Cp,gas | 252.12 | J/mol×K | 636.11 | Joback Calculated Property |
| Cp,gas | 261.89 | J/mol×K | 673.94 | Joback Calculated Property |
| ΔvapH | 52.70 | kJ/mol | 395.50 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, dihydro-5,5-dimethyl-.
Sources
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