- InChI
- InChI=1S/C6H12O4/c1-5(9)10-6(4-8)2-3-7/h6-8H,2-4H2,1H3
- InChI Key
- SDDGXTZPTOYNOA-UHFFFAOYSA-N
- Formula
- C6H12O4
- SMILES
- CC(=O)OC(CO)CCO
- 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° | -510.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.08 | kJ/mol | Joback Calculated Property |
| log10WS | 0.16 | Crippen Calculated Property | |
| logPoct/wat | -0.707 | Crippen Calculated Property | |
| McVol | 114.580 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | 1247.00 | NIST | |
| Tboil | 596.89 | K | Joback Calculated Property |
| Tc | 765.41 | K | Joback Calculated Property |
| Tfus | 336.18 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.26; 333.30] | J/mol×K | [596.89; 765.41] | 
|
| Cp,gas | 290.26 | J/mol×K | 596.89 | Joback Calculated Property |
| Cp,gas | 298.25 | J/mol×K | 624.98 | Joback Calculated Property |
| Cp,gas | 305.91 | J/mol×K | 653.06 | Joback Calculated Property |
| Cp,gas | 313.24 | J/mol×K | 681.15 | Joback Calculated Property |
| Cp,gas | 320.25 | J/mol×K | 709.24 | Joback Calculated Property |
| Cp,gas | 326.94 | J/mol×K | 737.33 | Joback Calculated Property |
| Cp,gas | 333.30 | J/mol×K | 765.41 | Joback Calculated Property |
| η | [0.0000345; 0.0159133] | Pa×s | [336.18; 596.89] |
|
| η | 0.0159133 | Pa×s | 336.18 | Joback Calculated Property |
| η | 0.0031897 | Pa×s | 379.63 | Joback Calculated Property |
| η | 0.0008894 | Pa×s | 423.08 | Joback Calculated Property |
| η | 0.0003146 | Pa×s | 466.53 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 509.99 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 553.44 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 596.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 2-acetate.
Sources
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