- InChI
- InChI=1S/C21H30O4/c22-20(24-16-8-13-18-9-3-1-4-10-18)14-7-15-21(23)25-17-19-11-5-2-6-12-19/h1,3-4,9-10,19H,2,5-8,11-17H2
- InChI Key
- WWVWSHROGHQNJZ-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
O=C(CCCC(=O)OCC1CCCCC1)OCCCc1c
cccc1 - Molecular Weight1
- 346.46
- 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° | -205.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.456 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | [2715.00; 2715.00] |
|
|
| Inp | 2715.00 | NIST | |
| Inp | 2715.00 | NIST | |
| Tboil | 878.69 | K | Joback Calculated Property |
| Tc | 1096.10 | K | Joback Calculated Property |
| Tfus | 504.55 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.14; 1013.66] | J/mol×K | [878.69; 1096.10] |
|
| Cp,gas | 933.14 | J/mol×K | 878.69 | Joback Calculated Property |
| Cp,gas | 950.16 | J/mol×K | 914.92 | Joback Calculated Property |
| Cp,gas | 965.69 | J/mol×K | 951.16 | Joback Calculated Property |
| Cp,gas | 979.76 | J/mol×K | 987.39 | Joback Calculated Property |
| Cp,gas | 992.42 | J/mol×K | 1023.63 | Joback Calculated Property |
| Cp,gas | 1003.71 | J/mol×K | 1059.86 | Joback Calculated Property |
| Cp,gas | 1013.66 | J/mol×K | 1096.10 | Joback Calculated Property |
| η | [0.0000485; 0.0007105] | Pa×s | [504.55; 878.69] |
|
| η | 0.0007105 | Pa×s | 504.55 | Joback Calculated Property |
| η | 0.0003551 | Pa×s | 566.91 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 629.26 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 691.62 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 753.98 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 816.33 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 878.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-phenylpropyl ester.
Sources
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