- InChI
- InChI=1S/C21H26O4/c1-5-21(6-2,19(22)24-14-15(3)4)20(23)25-18-12-11-16-9-7-8-10-17(16)13-18/h7-13,15H,5-6,14H2,1-4H3
- InChI Key
- IHASQWIZERONMC-UHFFFAOYSA-N
- Formula
- C21H26O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc2ccccc2c1 - Molecular Weight1
- 342.43
- 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° | -132.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.55 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 4.751 | Crippen Calculated Property | |
| McVol | 278.410 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [2454.00; 2454.00] |
|
|
| Inp | 2454.00 | NIST | |
| Inp | 2454.00 | NIST | |
| Tboil | 879.43 | K | Joback Calculated Property |
| Tc | 1101.76 | K | Joback Calculated Property |
| Tfus | 529.81 | K | Joback Calculated Property |
| Vc | 1.056 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.41; 937.57] | J/mol×K | [879.43; 1101.76] |
|
| Cp,gas | 862.41 | J/mol×K | 879.43 | Joback Calculated Property |
| Cp,gas | 877.47 | J/mol×K | 916.49 | Joback Calculated Property |
| Cp,gas | 891.42 | J/mol×K | 953.54 | Joback Calculated Property |
| Cp,gas | 904.32 | J/mol×K | 990.60 | Joback Calculated Property |
| Cp,gas | 916.25 | J/mol×K | 1027.65 | Joback Calculated Property |
| Cp,gas | 927.31 | J/mol×K | 1064.71 | Joback Calculated Property |
| Cp,gas | 937.57 | J/mol×K | 1101.76 | Joback Calculated Property |
| η | [0.0000679; 0.0006385] | Pa×s | [529.81; 879.43] |
|
| η | 0.0006385 | Pa×s | 529.81 | Joback Calculated Property |
| η | 0.0003652 | Pa×s | 588.08 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 646.35 | Joback Calculated Property |
| η | 0.0001576 | Pa×s | 704.62 | Joback Calculated Property |
| η | 0.0001140 | Pa×s | 762.89 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 821.16 | Joback Calculated Property |
| η | 0.0000679 | Pa×s | 879.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2-naphthyl ester.
Sources
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