- InChI
- InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
- InChI Key
- QSJXEFYPDANLFS-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- CC(=O)C(C)=O
- Molecular Weight1
- 86.09
- CAS
- 625-34-3
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | [-2107.00; -2065.10] | kJ/mol |
|
| ΔcH°liquid | -2066.10 ± 0.79 | kJ/mol | NIST |
| ΔcH°liquid | -2065.10 | kJ/mol | NIST |
| ΔcH°liquid | -2070.00 ± 0.80 | kJ/mol | NIST |
| ΔcH°liquid | -2107.00 | kJ/mol | NIST |
| ΔfG° | -275.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.80 | kJ/mol | NIST |
| ΔfH°liquid | [-366.50; -337.00] | kJ/mol |
|
| ΔfH°liquid | -365.50 | kJ/mol | NIST |
| ΔfH°liquid | -366.50 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | -361.00 | kJ/mol | NIST |
| ΔfH°liquid | -337.00 | kJ/mol | NIST |
| ΔfusH° | 9.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.00; 38.70] | kJ/mol |
|
| ΔvapH° | 38.70 ± 0.92 | kJ/mol | NIST |
| ΔvapH° | 36.00 | kJ/mol | NIST |
| log10WS | -0.06 | Crippen Calculated Property | |
| logPoct/wat | 0.164 | Crippen Calculated Property | |
| McVol | 70.360 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| Tboil | 398.66 | K | Joback Calculated Property |
| Tc | 591.75 | K | Joback Calculated Property |
| Tfus | 234.70 | K | Joback Calculated Property |
| Vc | 0.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.97; 157.00] | J/mol×K | [398.66; 591.75] |
|
| Cp,gas | 120.97 | J/mol×K | 398.66 | Joback Calculated Property |
| Cp,gas | 127.65 | J/mol×K | 430.84 | Joback Calculated Property |
| Cp,gas | 134.06 | J/mol×K | 463.02 | Joback Calculated Property |
| Cp,gas | 140.19 | J/mol×K | 495.21 | Joback Calculated Property |
| Cp,gas | 146.06 | J/mol×K | 527.39 | Joback Calculated Property |
| Cp,gas | 151.66 | J/mol×K | 559.57 | Joback Calculated Property |
| Cp,gas | 157.00 | J/mol×K | 591.75 | Joback Calculated Property |
| η | [0.0003612; 0.0028535] | Pa×s | [234.70; 398.66] |
|
| η | 0.0028535 | Pa×s | 234.70 | Joback Calculated Property |
| η | 0.0016895 | Pa×s | 262.03 | Joback Calculated Property |
| η | 0.0011044 | Pa×s | 289.35 | Joback Calculated Property |
| η | 0.0007769 | Pa×s | 316.68 | Joback Calculated Property |
| η | 0.0005780 | Pa×s | 344.01 | Joback Calculated Property |
| η | 0.0004491 | Pa×s | 371.33 | Joback Calculated Property |
| η | 0.0003612 | Pa×s | 398.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Butanedione.
Sources
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