- InChI
- InChI=1S/C22H32O5/c1-5-8-9-10-11-16-26-20(24)22(6-2,7-3)21(25)27-19-14-12-18(13-15-19)17(4)23/h12-15H,5-11,16H2,1-4H3
- InChI Key
- SQLZEAAQSFKMSM-UHFFFAOYSA-N
- Formula
- C22H32O5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccc(C(C)=O)cc1 - Molecular Weight1
- 376.49
- 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° | -356.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.115 | Crippen Calculated Property | |
| McVol | 313.530 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Inp | [2610.00; 2610.00] |
|
|
| Inp | 2610.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Tboil | 937.64 | K | Joback Calculated Property |
| Tc | 1152.88 | K | Joback Calculated Property |
| Tfus | 573.31 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.44; 1084.23] | J/mol×K | [937.64; 1152.88] |
|
| Cp,gas | 1013.44 | J/mol×K | 937.64 | Joback Calculated Property |
| Cp,gas | 1028.20 | J/mol×K | 973.51 | Joback Calculated Property |
| Cp,gas | 1041.70 | J/mol×K | 1009.39 | Joback Calculated Property |
| Cp,gas | 1054.01 | J/mol×K | 1045.26 | Joback Calculated Property |
| Cp,gas | 1065.16 | J/mol×K | 1081.13 | Joback Calculated Property |
| Cp,gas | 1075.22 | J/mol×K | 1117.01 | Joback Calculated Property |
| Cp,gas | 1084.23 | J/mol×K | 1152.88 | Joback Calculated Property |
| η | [0.0000301; 0.0003420] | Pa×s | [573.31; 937.64] |
|
| η | 0.0003420 | Pa×s | 573.31 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 634.03 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 694.75 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 755.47 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 816.20 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 876.92 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 937.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl heptyl ester.
Sources
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