- InChI
- InChI=1S/C21H36O4/c22-20(24-16-14-18-8-3-1-4-9-18)12-7-13-21(23)25-17-15-19-10-5-2-6-11-19/h18-19H,1-17H2
- InChI Key
- HRIWWELDHYHGDO-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
O=C(CCCC(=O)OCCC1CCCCC1)OCCC1C
CCCC1 - Molecular Weight1
- 352.51
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8554 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1043.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.184 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1339.80 | kPa | Joback Calculated Property |
| Inp | [2617.00; 2617.00] |
|
|
| Inp | 2617.00 | NIST | |
| Inp | 2617.00 | NIST | |
| Tboil | 682.79 | K | Relay (1.0) Calculated Property |
| Tc | 876.21 | K | Relay (1.0) Calculated Property |
| Tfus | 317.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.107 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.74; 1118.20] | J/mol×K | [871.56; 1084.97] |
|
| Cp,gas | 1024.74 | J/mol×K | 871.56 | Joback Calculated Property |
| Cp,gas | 1044.41 | J/mol×K | 907.13 | Joback Calculated Property |
| Cp,gas | 1062.40 | J/mol×K | 942.70 | Joback Calculated Property |
| Cp,gas | 1078.74 | J/mol×K | 978.26 | Joback Calculated Property |
| Cp,gas | 1093.46 | J/mol×K | 1013.83 | Joback Calculated Property |
| Cp,gas | 1106.60 | J/mol×K | 1049.40 | Joback Calculated Property |
| Cp,gas | 1118.20 | J/mol×K | 1084.97 | Joback Calculated Property |
| η | [0.0000490; 0.0009695] | Pa×s | [485.51; 871.56] |
|
| η | 0.0009695 | Pa×s | 485.51 | Joback Calculated Property |
| η | 0.0004405 | Pa×s | 549.85 | Joback Calculated Property |
| η | 0.0002361 | Pa×s | 614.19 | Joback Calculated Property |
| η | 0.0001425 | Pa×s | 678.53 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 742.88 | Joback Calculated Property |
| η | 0.0000660 | Pa×s | 807.22 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 871.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(cyclohexyl)ethyl) ester.
Sources
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