- InChI
- InChI=1S/C22H32O5/c1-5-6-15-26-20(23)22(2,3)21(24)27-19-13-9-17(10-14-19)16-7-11-18(25-4)12-8-16/h7-8,11-12,17,19H,5-6,9-10,13-15H2,1-4H3
- InChI Key
- SNADJYBKZGAIDL-UHFFFAOYSA-N
- Formula
- C22H32O5
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)OC1CCC(c
2ccc(OC)cc2)CC1 - Molecular Weight1
- 376.49
- 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° | -316.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.634 | Crippen Calculated Property | |
| McVol | 306.970 | ml/mol | McGowan Calculated Property |
| Pc | 1324.24 | kPa | Joback Calculated Property |
| Inp | 2804.00 | NIST | |
| Tboil | 921.07 | K | Joback Calculated Property |
| Tc | 1144.76 | K | Joback Calculated Property |
| Tfus | 548.75 | K | Joback Calculated Property |
| Vc | 1.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1026.59; 1100.76] | J/mol×K | [921.07; 1144.76] | 
|
| Cp,gas | 1026.59 | J/mol×K | 921.07 | Joback Calculated Property |
| Cp,gas | 1043.09 | J/mol×K | 958.35 | Joback Calculated Property |
| Cp,gas | 1057.88 | J/mol×K | 995.63 | Joback Calculated Property |
| Cp,gas | 1071.01 | J/mol×K | 1032.92 | Joback Calculated Property |
| Cp,gas | 1082.50 | J/mol×K | 1070.20 | Joback Calculated Property |
| Cp,gas | 1092.41 | J/mol×K | 1107.48 | Joback Calculated Property |
| Cp,gas | 1100.76 | J/mol×K | 1144.76 | Joback Calculated Property |
| η | [0.0000322; 0.0003772] | Pa×s | [548.75; 921.07] |
|
| η | 0.0003772 | Pa×s | 548.75 | Joback Calculated Property |
| η | 0.0002033 | Pa×s | 610.80 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 672.86 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 734.91 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 796.96 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 859.02 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 921.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl 4-(4-methoxyphenyl)cyclohexyl ester.
Sources
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