- InChI
- InChI=1S/C25H48O4/c1-7-10-11-12-13-14-19-28-23(26)25(8-2,9-3)24(27)29-20-18-22(6)17-15-16-21(4)5/h21-22H,7-20H2,1-6H3
- InChI Key
- JOSWAMRHFBKRRX-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
CC(C)CCCC(C)C - Molecular Weight1
- 412.65
- 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° | -310.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.48 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 7.092 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 820.54 | kPa | Joback Calculated Property |
| Inp | [2423.00; 2423.00] |
|
|
| Inp | 2423.00 | NIST | |
| Inp | 2423.00 | NIST | |
| Tboil | 919.87 | K | Joback Calculated Property |
| Tc | 1126.52 | K | Joback Calculated Property |
| Tfus | 488.25 | K | Joback Calculated Property |
| Vc | 1.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.85; 1382.95] | J/mol×K | [919.87; 1126.52] |
|
| Cp,gas | 1281.85 | J/mol×K | 919.87 | Joback Calculated Property |
| Cp,gas | 1302.06 | J/mol×K | 954.31 | Joback Calculated Property |
| Cp,gas | 1320.85 | J/mol×K | 988.75 | Joback Calculated Property |
| Cp,gas | 1338.27 | J/mol×K | 1023.20 | Joback Calculated Property |
| Cp,gas | 1354.40 | J/mol×K | 1057.64 | Joback Calculated Property |
| Cp,gas | 1369.27 | J/mol×K | 1092.08 | Joback Calculated Property |
| Cp,gas | 1382.95 | J/mol×K | 1126.52 | Joback Calculated Property |
| η | [0.0000162; 0.0005773] | Pa×s | [488.25; 919.87] |
|
| η | 0.0005773 | Pa×s | 488.25 | Joback Calculated Property |
| η | 0.0002172 | Pa×s | 560.19 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 632.12 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 704.06 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 776.00 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 847.93 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 919.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3,7-dimethyloctyl octyl ester.
Sources
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