- InChI
- InChI=1S/C12H18O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h7-9H,4-6H2,1-3H3/t7-,8+,9-
- InChI Key
- ZZNOMLSSCRBRJS-AYMMMOKOSA-N
- Formula
- C12H18O6
- SMILES
-
COC(=O)C1CC(C(=O)OC)CC(C(=O)OC
)C1 - Molecular Weight1
- 258.27
- 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° | -642.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.58 | kJ/mol | Joback Calculated Property |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | 0.538 | Crippen Calculated Property | |
| McVol | 191.400 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | 1791.00 | NIST | |
| Tboil | 713.04 | K | Joback Calculated Property |
| Tc | 922.38 | K | Joback Calculated Property |
| Tfus | 440.38 | K | Joback Calculated Property |
| Vc | 0.711 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.12; 640.78] | J/mol×K | [713.04; 922.38] | 
|
| Cp,gas | 561.12 | J/mol×K | 713.04 | Joback Calculated Property |
| Cp,gas | 577.23 | J/mol×K | 747.93 | Joback Calculated Property |
| Cp,gas | 592.23 | J/mol×K | 782.82 | Joback Calculated Property |
| Cp,gas | 606.12 | J/mol×K | 817.71 | Joback Calculated Property |
| Cp,gas | 618.86 | J/mol×K | 852.60 | Joback Calculated Property |
| Cp,gas | 630.42 | J/mol×K | 887.49 | Joback Calculated Property |
| Cp,gas | 640.78 | J/mol×K | 922.38 | Joback Calculated Property |
| η | [0.0001832; 0.0012100] | Pa×s | [440.38; 713.04] |
|
| η | 0.0012100 | Pa×s | 440.38 | Joback Calculated Property |
| η | 0.0007625 | Pa×s | 485.82 | Joback Calculated Property |
| η | 0.0005200 | Pa×s | 531.27 | Joback Calculated Property |
| η | 0.0003767 | Pa×s | 576.71 | Joback Calculated Property |
| η | 0.0002860 | Pa×s | 622.15 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 667.60 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 713.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-1,3,5-Cyclohexanetricarboxylic acid, trimethyl ester.
Sources
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