- InChI
- InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-19-23-31-26(29)28(5-2,6-3)27(30)32-24-22-25-20-17-16-18-21-25/h16-18,20-21H,4-15,19,22-24H2,1-3H3
- InChI Key
- ZYHRZEADOGVMKS-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OCCc1ccccc1 - Molecular Weight1
- 446.67
- 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 | 1.1424 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.433 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 833.38 | kPa | Joback Calculated Property |
| Inp | 2963.00 | NIST | |
| Tboil | 682.09 | K | Relay (1.0) Calculated Property |
| Tc | 889.16 | K | Relay (1.0) Calculated Property |
| Tfus | 298.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1370.03; 1459.06] | J/mol×K | [1016.07; 1245.70] | 
|
| Cp,gas | 1370.03 | J/mol×K | 1016.07 | Joback Calculated Property |
| Cp,gas | 1388.35 | J/mol×K | 1054.34 | Joback Calculated Property |
| Cp,gas | 1405.15 | J/mol×K | 1092.61 | Joback Calculated Property |
| Cp,gas | 1420.52 | J/mol×K | 1130.88 | Joback Calculated Property |
| Cp,gas | 1434.56 | J/mol×K | 1169.15 | Joback Calculated Property |
| Cp,gas | 1447.37 | J/mol×K | 1207.43 | Joback Calculated Property |
| Cp,gas | 1459.06 | J/mol×K | 1245.70 | Joback Calculated Property |
| η | [0.0000123; 0.0002333] | Pa×s | [578.48; 1016.07] |
|
| η | 0.0002333 | Pa×s | 578.48 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 651.41 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 724.34 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 797.27 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 870.21 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 943.14 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 1016.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, phenethyl tridecyl ester.
Sources
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