- InChI
- InChI=1S/C23H36O4/c1-6-9-10-11-12-13-17-26-21(24)23(7-2,8-3)22(25)27-20-16-14-15-18(4)19(20)5/h14-16H,6-13,17H2,1-5H3
- InChI Key
- XAZJYKVLHMERCK-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1cccc(C)c1C - Molecular Weight1
- 376.53
- 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° | -229.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 5.919 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1100.81 | kPa | Joback Calculated Property |
| Inp | [2493.00; 2493.00] |
|
|
| Inp | 2493.00 | NIST | |
| Inp | 2493.00 | NIST | |
| Tboil | 911.63 | K | Joback Calculated Property |
| Tc | 1120.72 | K | Joback Calculated Property |
| Tfus | 547.17 | K | Joback Calculated Property |
| Vc | 1.252 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1057.83; 1140.24] | J/mol×K | [911.63; 1120.72] |
|
| Cp,gas | 1057.83 | J/mol×K | 911.63 | Joback Calculated Property |
| Cp,gas | 1074.56 | J/mol×K | 946.48 | Joback Calculated Property |
| Cp,gas | 1090.03 | J/mol×K | 981.33 | Joback Calculated Property |
| Cp,gas | 1104.29 | J/mol×K | 1016.18 | Joback Calculated Property |
| Cp,gas | 1117.38 | J/mol×K | 1051.02 | Joback Calculated Property |
| Cp,gas | 1129.34 | J/mol×K | 1085.87 | Joback Calculated Property |
| Cp,gas | 1140.24 | J/mol×K | 1120.72 | Joback Calculated Property |
| η | [0.0000281; 0.0003331] | Pa×s | [547.17; 911.63] |
|
| η | 0.0003331 | Pa×s | 547.17 | Joback Calculated Property |
| η | 0.0001795 | Pa×s | 607.91 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 668.66 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 729.40 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 790.14 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 850.89 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 911.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl octyl ester.
Sources
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