- InChI
- InChI=1S/C6H10O2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
- InChI Key
- URIHWCCVKZSTMD-UHNVWZDZSA-N
- Formula
- C6H10O2
- SMILES
- CC1COC(=O)C1C
- Molecular Weight1
- 114.14
- 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° | -180.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.66 | 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 | 3805.69 | kPa | Joback Calculated Property |
| Inp | 1037.50 | NIST | |
| Tboil | 442.06 | K | Joback Calculated Property |
| Tc | 658.70 | K | Joback Calculated Property |
| Tfus | 258.83 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.95; 266.11] | J/mol×K | [442.06; 658.70] | 
|
| Cp,gas | 193.95 | J/mol×K | 442.06 | Joback Calculated Property |
| Cp,gas | 207.25 | J/mol×K | 478.17 | Joback Calculated Property |
| Cp,gas | 220.06 | J/mol×K | 514.27 | Joback Calculated Property |
| Cp,gas | 232.37 | J/mol×K | 550.38 | Joback Calculated Property |
| Cp,gas | 244.15 | J/mol×K | 586.49 | Joback Calculated Property |
| Cp,gas | 255.40 | J/mol×K | 622.59 | Joback Calculated Property |
| Cp,gas | 266.11 | J/mol×K | 658.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3,4-Dimethylbutyrolactone.
Sources
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