- InChI
- InChI=1S/C21H32O5/c1-5-8-9-10-11-15-25-19(22)21(6-2,7-3)20(23)26-18-14-12-13-17(16-18)24-4/h12-14,16H,5-11,15H2,1-4H3
- InChI Key
- KPZVOJBSILZJMW-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
cccc(OC)c1 - Molecular Weight1
- 364.48
- 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° | -341.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 4.921 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1253.92 | kPa | Joback Calculated Property |
| Inp | 2412.00 | NIST | |
| Tboil | 883.31 | K | Joback Calculated Property |
| Tc | 1090.05 | K | Joback Calculated Property |
| Tfus | 534.34 | K | Joback Calculated Property |
| Vc | 1.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.36; 1044.52] | J/mol×K | [883.31; 1090.05] | 
|
| Cp,gas | 967.36 | J/mol×K | 883.31 | Joback Calculated Property |
| Cp,gas | 983.26 | J/mol×K | 917.77 | Joback Calculated Property |
| Cp,gas | 997.90 | J/mol×K | 952.22 | Joback Calculated Property |
| Cp,gas | 1011.31 | J/mol×K | 986.68 | Joback Calculated Property |
| Cp,gas | 1023.53 | J/mol×K | 1021.13 | Joback Calculated Property |
| Cp,gas | 1034.59 | J/mol×K | 1055.59 | Joback Calculated Property |
| Cp,gas | 1044.52 | J/mol×K | 1090.05 | Joback Calculated Property |
| η | [0.0000277; 0.0003350] | Pa×s | [534.34; 883.31] |
|
| η | 0.0003350 | Pa×s | 534.34 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 592.50 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 650.66 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 708.82 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 766.99 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 825.15 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 883.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl 3-methoxyphenyl ester.
Sources
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