- InChI
- InChI=1S/C22H32O5/c1-4-7-8-9-10-13-16-26-20(24)22(5-2,6-3)21(25)27-19-15-12-11-14-18(19)17-23/h11-12,14-15,17H,4-10,13,16H2,1-3H3
- InChI Key
- ICJISCSIRIDCBK-UHFFFAOYSA-N
- Formula
- C22H32O5
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccccc1C=O - Molecular Weight1
- 376.49
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9797 | Relay (... Calculated Property | |
| ΔfG° | -327.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -931.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -5.17 | Relay (... Calculated Property | |
| logPoct/wat | 5.115 | Crippen Calculated Property | |
| McVol | 313.530 | ml/mol | McGowan Calculated Property |
| Pc | 1249.49 | kPa | Joback Calculated Property |
| Inp | 2551.00 | NIST | |
| Tboil | 644.37 | K | Relay (... Calculated Property |
| Tc | 889.93 | K | Relay (... Calculated Property |
| Tfus | 309.54 | K | Relay (... Calculated Property |
| Vc | 1.127 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.00; 1084.48] | J/mol×K | [932.43; 1145.72] | 
|
| Cp,gas | 1013.00 | J/mol×K | 932.43 | Joback Calculated Property |
| Cp,gas | 1027.78 | J/mol×K | 967.98 | Joback Calculated Property |
| Cp,gas | 1041.34 | J/mol×K | 1003.53 | Joback Calculated Property |
| Cp,gas | 1053.74 | J/mol×K | 1039.08 | Joback Calculated Property |
| Cp,gas | 1065.03 | J/mol×K | 1074.62 | Joback Calculated Property |
| Cp,gas | 1075.26 | J/mol×K | 1110.17 | Joback Calculated Property |
| Cp,gas | 1084.48 | J/mol×K | 1145.72 | Joback Calculated Property |
| η | [0.0000339; 0.0003973] | Pa×s | [565.38; 932.43] |
|
| η | 0.0003973 | Pa×s | 565.38 | Joback Calculated Property |
| η | 0.0002158 | Pa×s | 626.55 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 687.73 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 748.90 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 810.08 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 871.25 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 932.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-formylphenyl octyl ester.
Sources
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