- InChI
- InChI=1S/C5H8O2/c1-5(2)3-7-4(5)6/h3H2,1-2H3
- InChI Key
- ULKFLOVGORAZDI-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CC1(C)COC1=O
- Molecular Weight1
- 100.12
- CAS
- 1955-45-9
- Other Names
-
- «alpha»,«alpha»-Dimethyl-«beta»-propiolactone
- «alpha»,«alpha»-Dimethylpropiolactone
- Pivalic acid lactone
- Pivalolactone
- Propanoic acid, 3-hydroxy-2,2-dimethyl-, «beta»-lactone
- 3,3-Dimethyl-«beta»-propiolactone
- 3,3-Dimethyl-2-oxetanone
- NCI-C04126
- Hydracrylic acid, 2,2-dimethyl-, «beta»-lactone
- Pivalic acid, hydroxy-, lactone
- 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 | -2716.70 | kJ/mol | NIST |
| ΔfG° | -174.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.70 | kJ/mol | NIST |
| ΔfH°liquid | -395.10 | kJ/mol | NIST |
| ΔfusH° | 5.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [42.40; 42.43] | kJ/mol |
|
| ΔvapH° | 42.43 | kJ/mol | NIST |
| ΔvapH° | 42.40 | kJ/mol | NIST |
| log10WS | -0.43 | Crippen Calculated Property | |
| logPoct/wat | 0.569 | Crippen Calculated Property | |
| McVol | 77.890 | ml/mol | McGowan Calculated Property |
| Pc | 4615.13 | kPa | Joback Calculated Property |
| Tboil | 419.82 | K | Joback Calculated Property |
| Tc | 640.67 | K | Joback Calculated Property |
| Tfus | 279.22 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.68; 212.66] | J/mol×K | [419.82; 640.67] |
|
| Cp,gas | 156.68 | J/mol×K | 419.82 | Joback Calculated Property |
| Cp,gas | 167.71 | J/mol×K | 456.63 | Joback Calculated Property |
| Cp,gas | 177.94 | J/mol×K | 493.44 | Joback Calculated Property |
| Cp,gas | 187.46 | J/mol×K | 530.25 | Joback Calculated Property |
| Cp,gas | 196.36 | J/mol×K | 567.05 | Joback Calculated Property |
| Cp,gas | 204.73 | J/mol×K | 603.86 | Joback Calculated Property |
| Cp,gas | 212.66 | J/mol×K | 640.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxetanone, 3,3-dimethyl-.
Sources
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