- InChI
- InChI=1S/C20H28O5/c1-5-6-7-8-9-14-24-18(22)20(3,4)19(23)25-17-12-10-16(11-13-17)15(2)21/h10-13H,5-9,14H2,1-4H3
- InChI Key
- YDSOMLZBZISWRP-UHFFFAOYSA-N
- Formula
- C20H28O5
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)Oc1cc
c(C(C)=O)cc1 - Molecular Weight1
- 348.43
- 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° | -373.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.334 | Crippen Calculated Property | |
| McVol | 285.350 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | 2419.00 | NIST | |
| Tboil | 891.88 | K | Joback Calculated Property |
| Tc | 1104.64 | K | Joback Calculated Property |
| Tfus | 550.77 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.74; 964.49] | J/mol×K | [891.88; 1104.64] | 
|
| Cp,gas | 894.74 | J/mol×K | 891.88 | Joback Calculated Property |
| Cp,gas | 909.17 | J/mol×K | 927.34 | Joback Calculated Property |
| Cp,gas | 922.42 | J/mol×K | 962.80 | Joback Calculated Property |
| Cp,gas | 934.54 | J/mol×K | 998.26 | Joback Calculated Property |
| Cp,gas | 945.56 | J/mol×K | 1033.72 | Joback Calculated Property |
| Cp,gas | 955.53 | J/mol×K | 1069.18 | Joback Calculated Property |
| Cp,gas | 964.49 | J/mol×K | 1104.64 | Joback Calculated Property |
| η | [0.0000408; 0.0004325] | Pa×s | [550.77; 891.88] |
|
| η | 0.0004325 | Pa×s | 550.77 | Joback Calculated Property |
| η | 0.0002428 | Pa×s | 607.62 | Joback Calculated Property |
| η | 0.0001504 | Pa×s | 664.47 | Joback Calculated Property |
| η | 0.0001005 | Pa×s | 721.33 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 778.18 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 835.03 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 891.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-acetylphenyl heptyl ester.
Sources
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