- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7589 | Relay (1.0) Calculated Property | |
| ΔfG° | -1196.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1551.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.024 | Crippen Calculated Property | |
| McVol | 209.700 | ml/mol | McGowan Calculated Property |
| Pc | 1835.69 | kPa | Joback Calculated Property |
| Inp | [1580.80; 1580.80] |
|
|
| Inp | 1580.80 | NIST | |
| Inp | 1580.80 | NIST | |
| Tboil | 556.40 | K | Relay (1.0) Calculated Property |
| Tc | 716.50 | K | Relay (1.0) Calculated Property |
| Tfus | 313.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.77; 671.93] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.02520e+01 | |||
| Coefficient B | 9.36480e-01 | |||
| Coefficient C | -2.57000e-04 | |||
| Coefficient D | -9.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 385.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 440.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 491.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 536.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 576.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 609.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 637.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 657.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 671.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028651; 0.0000844] | Pa×s | [364.32; 625.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.42952e+01 | |||
| Coefficient B | 3.07488e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 364.32 | |||
| Temperature range, max. | 625.55 | |||
| η | 0.0028651 | Pa×s | 364.32 | Calculated Property |
| η | 0.0015370 | Pa×s | 393.35 | Calculated Property |
| η | 0.0008982 | Pa×s | 422.37 | Calculated Property |
| η | 0.0005624 | Pa×s | 451.40 | Calculated Property |
| η | 0.0003727 | Pa×s | 480.42 | Calculated Property |
| η | 0.0002588 | Pa×s | 509.45 | Calculated Property |
| η | 0.0001869 | Pa×s | 538.47 | Calculated Property |
| η | 0.0001396 | Pa×s | 567.50 | Calculated Property |
| η | 0.0001072 | Pa×s | 596.52 | Calculated Property |
| η | 0.0000844 | Pa×s | 625.55 | Calculated Property |
Similar Compounds
Find more compounds similar to threitol, acetylated.
Sources
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