- InChI
- InChI=1S/C33H56O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-36-31(34)33(7-2,8-3)32(35)37-30-26-23-22-25-29(30)28(4)5/h22-23,25-26,28H,6-21,24,27H2,1-5H3
- InChI Key
- JKQWUJVRSCIAIZ-UHFFFAOYSA-N
- Formula
- C33H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)Oc1ccccc1C(C)C - Molecular Weight1
- 516.80
- 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° | -137.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.62 | kJ/mol | Joback Calculated Property |
| log10WS | -10.80 | Crippen Calculated Property | |
| logPoct/wat | 9.936 | Crippen Calculated Property | |
| McVol | 466.950 | ml/mol | McGowan Calculated Property |
| Pc | 640.60 | kPa | Joback Calculated Property |
| Inp | [3344.00; 3344.00] |
|
|
| Inp | 3344.00 | NIST | |
| Inp | 3344.00 | NIST | |
| Tboil | 1135.01 | K | Joback Calculated Property |
| Tc | 1415.49 | K | Joback Calculated Property |
| Tfus | 632.35 | K | Joback Calculated Property |
| Vc | 1.806 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1690.20; 1784.03] | J/mol×K | [1135.01; 1415.49] |
|
| Cp,gas | 1690.20 | J/mol×K | 1135.01 | Joback Calculated Property |
| Cp,gas | 1710.60 | J/mol×K | 1181.76 | Joback Calculated Property |
| Cp,gas | 1728.82 | J/mol×K | 1228.50 | Joback Calculated Property |
| Cp,gas | 1745.08 | J/mol×K | 1275.25 | Joback Calculated Property |
| Cp,gas | 1759.56 | J/mol×K | 1322.00 | Joback Calculated Property |
| Cp,gas | 1772.48 | J/mol×K | 1368.74 | Joback Calculated Property |
| Cp,gas | 1784.03 | J/mol×K | 1415.49 | Joback Calculated Property |
| η | [0.0000050; 0.0001104] | Pa×s | [632.35; 1135.01] |
|
| η | 0.0001104 | Pa×s | 632.35 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 716.13 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 799.90 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 883.68 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 967.46 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 1051.23 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1135.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptadecyl 2-isopropylphenyl ester.
Sources
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