- InChI
- InChI=1S/C12H18O8/c1-7(13)17-5-11(19-9(3)15)12(20-10(4)16)6-18-8(2)14/h11-12H,5-6H2,1-4H3/t11-,12-/m0/s1
- InChI Key
- RSZROFFHBBZJAD-RYUDHWBXSA-N
- Formula
- C12H18O8
- SMILES
-
CC(=O)OCC(OC(C)=O)C(COC(C)=O)O
C(C)=O - Molecular Weight1
- 290.27
- 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° | -890.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1280.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.52 | Crippen Calculated Property | |
| logPoct/wat | -0.024 | Crippen Calculated Property | |
| McVol | 209.700 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | [1580.80; 1580.80] |
|
|
| Inp | 1580.80 | NIST | |
| Inp | 1580.80 | NIST | |
| Tboil | 778.24 | K | Joback Calculated Property |
| Tc | 974.96 | K | Joback Calculated Property |
| Tfus | 483.64 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.12; 664.67] | J/mol×K | [778.24; 974.96] |
|
| Cp,gas | 606.12 | J/mol×K | 778.24 | Joback Calculated Property |
| Cp,gas | 618.23 | J/mol×K | 811.03 | Joback Calculated Property |
| Cp,gas | 629.43 | J/mol×K | 843.81 | Joback Calculated Property |
| Cp,gas | 639.70 | J/mol×K | 876.60 | Joback Calculated Property |
| Cp,gas | 649.02 | J/mol×K | 909.39 | Joback Calculated Property |
| Cp,gas | 657.35 | J/mol×K | 942.17 | Joback Calculated Property |
| Cp,gas | 664.67 | J/mol×K | 974.96 | Joback Calculated Property |
| η | [0.0000723; 0.0007505] | Pa×s | [483.64; 778.24] |
|
| η | 0.0007505 | Pa×s | 483.64 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 532.74 | Joback Calculated Property |
| η | 0.0002645 | Pa×s | 581.84 | Joback Calculated Property |
| η | 0.0001773 | Pa×s | 630.94 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 680.04 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 729.14 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 778.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to threitol, acetylated.
Sources
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