- InChI
- InChI=1S/C32H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-30(33)32(5-2,6-3)31(34)36-28-26-29-24-21-20-22-25-29/h20-22,24-25H,4-19,23,26-28H2,1-3H3
- InChI Key
- KJMBSJWYEZSWCR-UHFFFAOYSA-N
- Formula
- C32H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)OCCc1ccccc1 - Molecular Weight1
- 502.77
- 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 | 1.2858 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1043.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.993 | Crippen Calculated Property | |
| McVol | 452.860 | ml/mol | McGowan Calculated Property |
| Pc | 675.35 | kPa | Joback Calculated Property |
| Inp | 3369.00 | NIST | |
| Tboil | 708.26 | K | Relay (1.0) Calculated Property |
| Tc | 915.16 | K | Relay (1.0) Calculated Property |
| Tfus | 306.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1626.31; 1722.97] | J/mol×K | [1107.59; 1376.17] | 
|
| Cp,gas | 1626.31 | J/mol×K | 1107.59 | Joback Calculated Property |
| Cp,gas | 1646.70 | J/mol×K | 1152.35 | Joback Calculated Property |
| Cp,gas | 1665.13 | J/mol×K | 1197.12 | Joback Calculated Property |
| Cp,gas | 1681.79 | J/mol×K | 1241.88 | Joback Calculated Property |
| Cp,gas | 1696.86 | J/mol×K | 1286.64 | Joback Calculated Property |
| Cp,gas | 1710.53 | J/mol×K | 1331.40 | Joback Calculated Property |
| Cp,gas | 1722.97 | J/mol×K | 1376.17 | Joback Calculated Property |
| η | [0.0000063; 0.0001322] | Pa×s | [623.56; 1107.59] |
|
| η | 0.0001322 | Pa×s | 623.56 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 704.23 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 784.90 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 865.57 | Joback Calculated Property |
| η | 0.0000124 | Pa×s | 946.25 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 1026.92 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 1107.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptadecyl phenethyl ester.
Sources
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