- InChI
- InChI=1S/C18H24O12/c1-7(19)25-13-14(26-8(2)20)16(28-10(4)22)18(30-12(6)24)17(29-11(5)23)15(13)27-9(3)21/h13-18H,1-6H3
- InChI Key
- SQUHHTBVTRBESD-UHFFFAOYSA-N
- Formula
- C18H24O12
- SMILES
-
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C
(OC(C)=O)C(OC(C)=O)C1OC(C)=O - Molecular Weight1
- 432.38
- CAS
- 1254-38-2
- Other Names
-
- Inositol, hexaacetate, myo-
- Mesoinositol hexaacetate
- Hexakis-O-acetyl-myo-inositol
- meso-inositol, acetylated
- 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° | -1316.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1931.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.10 | Crippen Calculated Property | |
| logPoct/wat | -0.410 | Crippen Calculated Property | |
| McVol | 298.260 | ml/mol | McGowan Calculated Property |
| Pc | 1445.73 | kPa | Joback Calculated Property |
| Inp | [2043.60; 2043.60] |
|
|
| Inp | 2043.60 | NIST | |
| Inp | 2043.60 | NIST | |
| Tboil | 1065.18 | K | Joback Calculated Property |
| Tc | 1304.11 | K | Joback Calculated Property |
| Tfus | 711.76 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.97; 1028.90] | J/mol×K | [1065.18; 1304.11] |
|
| Cp,gas | 1024.39 | J/mol×K | 1065.18 | Joback Calculated Property |
| Cp,gas | 1028.25 | J/mol×K | 1105.00 | Joback Calculated Property |
| Cp,gas | 1028.90 | J/mol×K | 1144.82 | Joback Calculated Property |
| Cp,gas | 1026.21 | J/mol×K | 1184.64 | Joback Calculated Property |
| Cp,gas | 1020.07 | J/mol×K | 1224.46 | Joback Calculated Property |
| Cp,gas | 1010.36 | J/mol×K | 1264.28 | Joback Calculated Property |
| Cp,gas | 996.97 | J/mol×K | 1304.11 | Joback Calculated Property |
| η | [0.0000790; 0.0003354] | Pa×s | [711.76; 1065.18] |
|
| η | 0.0003354 | Pa×s | 711.76 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 770.66 | Joback Calculated Property |
| η | 0.0001807 | Pa×s | 829.57 | Joback Calculated Property |
| η | 0.0001410 | Pa×s | 888.47 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 947.37 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 1006.28 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 1065.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myo-inositol, hexaacetate.
Sources
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