- InChI
- InChI=1S/C22H32O5/c1-7-10-19(15(4)5)27-21(25)22(8-2,9-3)20(24)26-18-13-11-17(12-14-18)16(6)23/h11-15,19H,7-10H2,1-6H3
- InChI Key
- WEABGWYQKVSHOG-UHFFFAOYSA-N
- Formula
- C22H32O5
- SMILES
-
CCCC(OC(=O)C(CC)(CC)C(=O)Oc1cc
c(C(C)=O)cc1)C(C)C - 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° | -361.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| McVol | 313.530 | ml/mol | McGowan Calculated Property |
| Pc | 1253.92 | kPa | Joback Calculated Property |
| Inp | [2481.00; 2481.00] |
|
|
| Inp | 2481.00 | NIST | |
| Inp | 2481.00 | NIST | |
| Tboil | 936.76 | K | Joback Calculated Property |
| Tc | 1154.56 | K | Joback Calculated Property |
| Tfus | 543.31 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1014.35; 1084.87] | J/mol×K | [936.76; 1154.56] |
|
| Cp,gas | 1014.35 | J/mol×K | 936.76 | Joback Calculated Property |
| Cp,gas | 1029.20 | J/mol×K | 973.06 | Joback Calculated Property |
| Cp,gas | 1042.73 | J/mol×K | 1009.36 | Joback Calculated Property |
| Cp,gas | 1055.01 | J/mol×K | 1045.66 | Joback Calculated Property |
| Cp,gas | 1066.09 | J/mol×K | 1081.96 | Joback Calculated Property |
| Cp,gas | 1076.03 | J/mol×K | 1118.26 | Joback Calculated Property |
| Cp,gas | 1084.87 | J/mol×K | 1154.56 | Joback Calculated Property |
| η | [0.0000250; 0.0004248] | Pa×s | [543.31; 936.76] |
|
| η | 0.0004248 | Pa×s | 543.31 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 608.88 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 674.46 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 740.03 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 805.61 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 871.18 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 936.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl 2-methylhex-3-yl ester.
Sources
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