- InChI
- InChI=1S/C22H34O4/c1-4-5-6-7-8-12-17-25-20(23)22(2,3)21(24)26-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3
- InChI Key
- SORGGFCODMJBMX-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)OCCC
c1ccccc1 - 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 | 0.9418 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.092 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1198.96 | kPa | Joback Calculated Property |
| Inp | 2422.00 | NIST | |
| Tboil | 635.96 | K | Relay (1.0) Calculated Property |
| Tc | 840.90 | K | Relay (1.0) Calculated Property |
| Tfus | 277.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.170 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.42; 1081.75] | J/mol×K | [878.79; 1084.30] | 
|
| Cp,gas | 998.42 | J/mol×K | 878.79 | Joback Calculated Property |
| Cp,gas | 1015.14 | J/mol×K | 913.04 | Joback Calculated Property |
| Cp,gas | 1030.66 | J/mol×K | 947.29 | Joback Calculated Property |
| Cp,gas | 1045.03 | J/mol×K | 981.54 | Joback Calculated Property |
| Cp,gas | 1058.30 | J/mol×K | 1015.79 | Joback Calculated Property |
| Cp,gas | 1070.52 | J/mol×K | 1050.05 | Joback Calculated Property |
| Cp,gas | 1081.75 | J/mol×K | 1084.30 | Joback Calculated Property |
| η | [0.0000317; 0.0005115] | Pa×s | [510.86; 878.79] |
|
| η | 0.0005115 | Pa×s | 510.86 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 572.18 | Joback Calculated Property |
| η | 0.0001414 | Pa×s | 633.50 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 694.83 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 756.15 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 817.47 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 878.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, octyl 3-phenylpropyl ester.
Sources
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