- InChI
- InChI=1S/C26H42O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-29-24(27)26(3,4)25(28)30-23-19-17-18-22(6-2)21-23/h17-19,21H,5-16,20H2,1-4H3
- InChI Key
- FFJHTPGRHYDAIJ-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O
)Oc1cccc(CC)c1 - Molecular Weight1
- 418.61
- 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 | 1.1031 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.035 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 925.55 | kPa | Joback Calculated Property |
| Inp | [2852.00; 2852.00] |
|
|
| Inp | 2852.00 | NIST | |
| Inp | 2852.00 | NIST | |
| Tboil | 651.26 | K | Relay (1.0) Calculated Property |
| Tc | 870.69 | K | Relay (1.0) Calculated Property |
| Tfus | 286.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1243.60; 1329.05] | J/mol×K | [975.29; 1194.04] |
|
| Cp,gas | 1243.60 | J/mol×K | 975.29 | Joback Calculated Property |
| Cp,gas | 1261.12 | J/mol×K | 1011.75 | Joback Calculated Property |
| Cp,gas | 1277.24 | J/mol×K | 1048.21 | Joback Calculated Property |
| Cp,gas | 1292.02 | J/mol×K | 1084.66 | Joback Calculated Property |
| Cp,gas | 1305.54 | J/mol×K | 1121.12 | Joback Calculated Property |
| Cp,gas | 1317.86 | J/mol×K | 1157.58 | Joback Calculated Property |
| Cp,gas | 1329.05 | J/mol×K | 1194.04 | Joback Calculated Property |
| η | [0.0000173; 0.0002647] | Pa×s | [568.46; 975.29] |
|
| η | 0.0002647 | Pa×s | 568.46 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 636.26 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 704.07 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 771.88 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 839.68 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 907.49 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 975.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-ethylphenyl tridecyl ester.
Sources
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