- InChI
- InChI=1S/C22H34O5/c1-5-8-9-10-11-12-17-26-20(23)22(6-2,7-3)21(24)27-19-15-13-18(25-4)14-16-19/h13-16H,5-12,17H2,1-4H3
- InChI Key
- ODDSIJYPTLCJMM-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccc(OC)cc1 - Molecular Weight1
- 378.50
- 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° | -332.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.93 | kJ/mol | Joback Calculated Property |
| log10WS | -5.97 | Crippen Calculated Property | |
| logPoct/wat | 5.311 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1172.83 | kPa | Joback Calculated Property |
| Inp | [2556.00; 2556.00] |
|
|
| Inp | 2556.00 | NIST | |
| Inp | 2556.00 | NIST | |
| Tboil | 906.19 | K | Joback Calculated Property |
| Tc | 1114.59 | K | Joback Calculated Property |
| Tfus | 545.61 | K | Joback Calculated Property |
| Vc | 1.214 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.42; 1104.79] | J/mol×K | [906.19; 1114.59] |
|
| Cp,gas | 1027.42 | J/mol×K | 906.19 | Joback Calculated Property |
| Cp,gas | 1043.46 | J/mol×K | 940.92 | Joback Calculated Property |
| Cp,gas | 1058.20 | J/mol×K | 975.66 | Joback Calculated Property |
| Cp,gas | 1071.67 | J/mol×K | 1010.39 | Joback Calculated Property |
| Cp,gas | 1083.90 | J/mol×K | 1045.12 | Joback Calculated Property |
| Cp,gas | 1094.93 | J/mol×K | 1079.86 | Joback Calculated Property |
| Cp,gas | 1104.79 | J/mol×K | 1114.59 | Joback Calculated Property |
| η | [0.0000238; 0.0002975] | Pa×s | [545.61; 906.19] |
|
| η | 0.0002975 | Pa×s | 545.61 | Joback Calculated Property |
| η | 0.0001585 | Pa×s | 605.71 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 665.80 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 725.90 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 786.00 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 846.09 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 906.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-methoxyphenyl octyl ester.
Sources
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