- InChI
- InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)22(4,5)21(24)26-18-19(2)3/h19H,6-18H2,1-5H3
- InChI Key
- NQZLLZANOKSBHI-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O
)OCC(C)C - Molecular Weight1
- 370.57
- 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 | 0.9968 | Relay (1.0) Calculated Property | |
| ΔfG° | -333.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1128.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.066 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 969.88 | kPa | Joback Calculated Property |
| Inp | 2299.00 | NIST | |
| Tboil | 600.73 | K | Relay (1.0) Calculated Property |
| Tc | 788.33 | K | Relay (1.0) Calculated Property |
| Tfus | 278.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.294 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.02; 1190.22] | J/mol×K | [851.67; 1044.13] | 
|
| Cp,gas | 1093.02 | J/mol×K | 851.67 | Joback Calculated Property |
| Cp,gas | 1112.04 | J/mol×K | 883.75 | Joback Calculated Property |
| Cp,gas | 1129.88 | J/mol×K | 915.82 | Joback Calculated Property |
| Cp,gas | 1146.58 | J/mol×K | 947.90 | Joback Calculated Property |
| Cp,gas | 1162.18 | J/mol×K | 979.97 | Joback Calculated Property |
| Cp,gas | 1176.71 | J/mol×K | 1012.05 | Joback Calculated Property |
| Cp,gas | 1190.22 | J/mol×K | 1044.13 | Joback Calculated Property |
| η | [0.0000287; 0.0007385] | Pa×s | [469.44; 851.67] |
|
| η | 0.0007385 | Pa×s | 469.44 | Joback Calculated Property |
| η | 0.0003111 | Pa×s | 533.14 | Joback Calculated Property |
| η | 0.0001576 | Pa×s | 596.85 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 660.56 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 724.26 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 787.97 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 851.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl tridecyl ester.
Sources
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