- InChI
- InChI=1S/C6H12O4/c1-4(7)6(2,9)5(8)10-3/h4,7,9H,1-3H3/t4-,6+/m0/s1
- InChI Key
- XKXDXWAQHUEJGN-UJURSFKZSA-N
- Formula
- C6H12O4
- SMILES
- COC(=O)C(C)(O)C(C)O
- Molecular Weight1
- 148.16
- 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).
- 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° | -507.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.78 | kJ/mol | Joback Calculated Property |
| log10WS | 0.05 | Crippen Calculated Property | |
| logPoct/wat | -0.709 | Crippen Calculated Property | |
| McVol | 114.580 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [968.00; 968.00] |
|
|
| Inp | 968.00 | NIST | |
| Inp | 968.00 | NIST | |
| Tboil | 593.66 | K | Joback Calculated Property |
| Tc | 770.02 | K | Joback Calculated Property |
| Tfus | 338.60 | K | Joback Calculated Property |
| Vc | 0.416 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.05; 337.71] | J/mol×K | [593.66; 770.02] |
|
| Cp,gas | 294.05 | J/mol×K | 593.66 | Joback Calculated Property |
| Cp,gas | 302.34 | J/mol×K | 623.05 | Joback Calculated Property |
| Cp,gas | 310.21 | J/mol×K | 652.45 | Joback Calculated Property |
| Cp,gas | 317.67 | J/mol×K | 681.84 | Joback Calculated Property |
| Cp,gas | 324.73 | J/mol×K | 711.23 | Joback Calculated Property |
| Cp,gas | 331.40 | J/mol×K | 740.63 | Joback Calculated Property |
| Cp,gas | 337.71 | J/mol×K | 770.02 | Joback Calculated Property |
| η | [0.0000317; 0.0171705] | Pa×s | [338.60; 593.66] |
|
| η | 0.0171705 | Pa×s | 338.60 | Joback Calculated Property |
| η | 0.0033496 | Pa×s | 381.11 | Joback Calculated Property |
| η | 0.0009071 | Pa×s | 423.62 | Joback Calculated Property |
| η | 0.0003118 | Pa×s | 466.13 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 508.64 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 551.15 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 593.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,3-dihydroxy-2-methyl, threo, methyl ester.
Sources
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