- InChI
- InChI=1S/C21H30O5/c1-4-7-8-9-12-15-25-19(23)21(5-2,6-3)20(24)26-18-14-11-10-13-17(18)16-22/h10-11,13-14,16H,4-9,12,15H2,1-3H3
- InChI Key
- LYCMPLCWVDESBM-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccccc1C=O - Molecular Weight1
- 362.46
- 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° | -335.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -835.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.724 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1338.82 | kPa | Joback Calculated Property |
| Inp | [2450.00; 2450.00] |
|
|
| Inp | 2450.00 | NIST | |
| Inp | 2450.00 | NIST | |
| Tboil | 909.55 | K | Joback Calculated Property |
| Tc | 1120.94 | K | Joback Calculated Property |
| Tfus | 554.11 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.37; 1024.17] | J/mol×K | [909.55; 1120.94] |
|
| Cp,gas | 953.37 | J/mol×K | 909.55 | Joback Calculated Property |
| Cp,gas | 967.95 | J/mol×K | 944.78 | Joback Calculated Property |
| Cp,gas | 981.36 | J/mol×K | 980.01 | Joback Calculated Property |
| Cp,gas | 993.63 | J/mol×K | 1015.24 | Joback Calculated Property |
| Cp,gas | 1004.83 | J/mol×K | 1050.48 | Joback Calculated Property |
| Cp,gas | 1014.99 | J/mol×K | 1085.71 | Joback Calculated Property |
| Cp,gas | 1024.17 | J/mol×K | 1120.94 | Joback Calculated Property |
| η | [0.0000395; 0.0004472] | Pa×s | [554.11; 909.55] |
|
| η | 0.0004472 | Pa×s | 554.11 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 613.35 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 672.59 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 731.83 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 791.07 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 850.31 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 909.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-formylphenyl heptyl ester.
Sources
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