- InChI
- InChI=1S/C22H34O4/c1-6-12-19(17(4)5)26-21(24)22(7-2,8-3)20(23)25-16-15-18-13-10-9-11-14-18/h9-11,13-14,17,19H,6-8,12,15-16H2,1-5H3
- InChI Key
- CNJRDUBABOHXLQ-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCC(OC(=O)C(CC)(CC)C(=O)OCCc1
ccccc1)C(C)C - Molecular Weight1
- 362.50
- 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 | 0.8258 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -851.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.947 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1212.36 | kPa | Joback Calculated Property |
| Inp | 2222.00 | NIST | |
| Tboil | 635.69 | K | Relay (1.0) Calculated Property |
| Tc | 839.41 | K | Relay (1.0) Calculated Property |
| Tfus | 286.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.113 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [999.40; 1083.14] | J/mol×K | [877.91; 1086.61] | 
|
| Cp,gas | 999.40 | J/mol×K | 877.91 | Joback Calculated Property |
| Cp,gas | 1016.33 | J/mol×K | 912.69 | Joback Calculated Property |
| Cp,gas | 1032.00 | J/mol×K | 947.48 | Joback Calculated Property |
| Cp,gas | 1046.46 | J/mol×K | 982.26 | Joback Calculated Property |
| Cp,gas | 1059.77 | J/mol×K | 1017.05 | Joback Calculated Property |
| Cp,gas | 1071.97 | J/mol×K | 1051.83 | Joback Calculated Property |
| Cp,gas | 1083.14 | J/mol×K | 1086.61 | Joback Calculated Property |
| η | [0.0000265; 0.0006929] | Pa×s | [480.86; 877.91] |
|
| η | 0.0006929 | Pa×s | 480.86 | Joback Calculated Property |
| η | 0.0002896 | Pa×s | 547.03 | Joback Calculated Property |
| η | 0.0001461 | Pa×s | 613.21 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 679.38 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 745.56 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 811.74 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 877.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl phenethyl ester.
Sources
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