- InChI
- InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2/t3-/m1/s1
- InChI Key
- FWIBCWKHNZBDLS-GSVOUGTGSA-N
- Formula
- C4H6O3
- SMILES
- O=C1OCCC1O
- Molecular Weight1
- 102.09
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -326.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.19 | kJ/mol | Joback Calculated Property |
| log10WS | 0.37 | Crippen Calculated Property | |
| logPoct/wat | -0.706 | Crippen Calculated Property | |
| McVol | 69.670 | ml/mol | McGowan Calculated Property |
| Pc | 5880.91 | kPa | Joback Calculated Property |
| I | [1692.00; 1692.00] |
|
|
| I | 1692.00 | NIST | |
| I | 1692.00 | NIST | |
| Tboil | 493.15 | K | Joback Calculated Property |
| Tc | 701.93 | K | Joback Calculated Property |
| Tfus | 301.35 | K | Joback Calculated Property |
| Vc | 0.247 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.21; 204.66] | J/mol×K | [493.15; 701.93] |
|
| Cp,gas | 157.21 | J/mol×K | 493.15 | Joback Calculated Property |
| Cp,gas | 166.07 | J/mol×K | 527.95 | Joback Calculated Property |
| Cp,gas | 174.55 | J/mol×K | 562.74 | Joback Calculated Property |
| Cp,gas | 182.66 | J/mol×K | 597.54 | Joback Calculated Property |
| Cp,gas | 190.39 | J/mol×K | 632.34 | Joback Calculated Property |
| Cp,gas | 197.73 | J/mol×K | 667.13 | Joback Calculated Property |
| Cp,gas | 204.66 | J/mol×K | 701.93 | Joback Calculated Property |
Similar Compounds
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Sources
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