- InChI
- InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3
- InChI Key
- NNCDHEJIRBOLSS-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- CC(=O)OCC1CCC(COC(C)=O)CC1
- Molecular Weight1
- 228.28
- CAS
- 10412-78-9
- Other Names
-
- trans-(4-[(Acetyloxy)methyl]cyclohexyl)methyl acetate
- 1,4-Cyclohexanedimethanol, trans, diacetate
- CHDM diacetate derivative, trans isomer
- Trans-1,4-cyclohexanedimethanol, diacetate
- 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).
- 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° | -400.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.919 | Crippen Calculated Property | |
| McVol | 183.960 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Tboil | 641.42 | K | Joback Calculated Property |
| Tc | 846.20 | K | Joback Calculated Property |
| Tfus | 372.46 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.57; 600.62] | J/mol×K | [641.42; 846.20] | 
|
| Cp,gas | 509.57 | J/mol×K | 641.42 | Joback Calculated Property |
| Cp,gas | 527.23 | J/mol×K | 675.55 | Joback Calculated Property |
| Cp,gas | 543.90 | J/mol×K | 709.68 | Joback Calculated Property |
| Cp,gas | 559.58 | J/mol×K | 743.81 | Joback Calculated Property |
| Cp,gas | 574.26 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 587.94 | J/mol×K | 812.07 | Joback Calculated Property |
| Cp,gas | 600.62 | J/mol×K | 846.20 | Joback Calculated Property |
| η | [0.0001901; 0.0019188] | Pa×s | [372.46; 641.42] |
|
| η | 0.0019188 | Pa×s | 372.46 | Joback Calculated Property |
| η | 0.0010612 | Pa×s | 417.29 | Joback Calculated Property |
| η | 0.0006584 | Pa×s | 462.11 | Joback Calculated Property |
| η | 0.0004445 | Pa×s | 506.94 | Joback Calculated Property |
| η | 0.0003198 | Pa×s | 551.77 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 596.59 | Joback Calculated Property |
| η | 0.0001901 | Pa×s | 641.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cyclohexane-1,4-dimethanol, diacetate.
Sources
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