- InChI
- InChI=1S/C20H30O5/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)25-17-12-10-9-11-16(17)24-15(5)6/h9-12,14-15H,7-8,13H2,1-6H3
- InChI Key
- QASONLRWBYCTRL-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cccc1OC(C)C - Molecular Weight1
- 350.45
- 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° | -354.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.385 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1359.63 | kPa | Joback Calculated Property |
| Inp | [2116.00; 2116.00] |
|
|
| Inp | 2116.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Tboil | 859.55 | K | Joback Calculated Property |
| Tc | 1069.31 | K | Joback Calculated Property |
| Tfus | 493.07 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.98; 986.41] | J/mol×K | [859.55; 1069.31] |
|
| Cp,gas | 908.98 | J/mol×K | 859.55 | Joback Calculated Property |
| Cp,gas | 925.00 | J/mol×K | 894.51 | Joback Calculated Property |
| Cp,gas | 939.73 | J/mol×K | 929.47 | Joback Calculated Property |
| Cp,gas | 953.21 | J/mol×K | 964.43 | Joback Calculated Property |
| Cp,gas | 965.46 | J/mol×K | 999.39 | Joback Calculated Property |
| Cp,gas | 976.52 | J/mol×K | 1034.35 | Joback Calculated Property |
| Cp,gas | 986.41 | J/mol×K | 1069.31 | Joback Calculated Property |
| η | [0.0000271; 0.0004909] | Pa×s | [493.07; 859.55] |
|
| η | 0.0004909 | Pa×s | 493.07 | Joback Calculated Property |
| η | 0.0002321 | Pa×s | 554.15 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 615.23 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 676.31 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 737.39 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 798.47 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 859.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2-isopropoxyphenyl ester.
Sources
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