- InChI
- InChI=1S/C18H24O5/c1-5-18(6-2,16(20)22-12-13(3)4)17(21)23-15-10-8-7-9-14(15)11-19/h7-11,13H,5-6,12H2,1-4H3
- InChI Key
- PFLOSFYWGHNDIQ-UHFFFAOYSA-N
- Formula
- C18H24O5
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cccc1C=O - Molecular Weight1
- 320.38
- 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° | -363.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.410 | Crippen Calculated Property | |
| McVol | 257.170 | ml/mol | McGowan Calculated Property |
| Pc | 1683.79 | kPa | Joback Calculated Property |
| Inp | [2116.00; 2116.00] |
|
|
| Inp | 2116.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Tboil | 840.47 | K | Joback Calculated Property |
| Tc | 1053.32 | K | Joback Calculated Property |
| Tfus | 505.30 | K | Joback Calculated Property |
| Vc | 0.984 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.20; 847.98] | J/mol×K | [840.47; 1053.32] |
|
| Cp,gas | 779.20 | J/mol×K | 840.47 | Joback Calculated Property |
| Cp,gas | 793.34 | J/mol×K | 875.94 | Joback Calculated Property |
| Cp,gas | 806.36 | J/mol×K | 911.42 | Joback Calculated Property |
| Cp,gas | 818.30 | J/mol×K | 946.89 | Joback Calculated Property |
| Cp,gas | 829.19 | J/mol×K | 982.37 | Joback Calculated Property |
| Cp,gas | 839.07 | J/mol×K | 1017.84 | Joback Calculated Property |
| Cp,gas | 847.98 | J/mol×K | 1053.32 | Joback Calculated Property |
| η | [0.0000566; 0.0007049] | Pa×s | [505.30; 840.47] |
|
| η | 0.0007049 | Pa×s | 505.30 | Joback Calculated Property |
| η | 0.0003756 | Pa×s | 561.16 | Joback Calculated Property |
| η | 0.0002243 | Pa×s | 617.02 | Joback Calculated Property |
| η | 0.0001460 | Pa×s | 672.88 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 728.75 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 784.61 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 840.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-formylphenyl isobutyl ester.
Sources
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