- InChI
- InChI=1S/C33H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-36-31(34)33(5-2,6-3)32(35)37-29-24-27-30-25-21-20-22-26-30/h20-22,25-26H,4-19,23-24,27-29H2,1-3H3
- InChI Key
- HHPFUJUKNXNSRG-UHFFFAOYSA-N
- Formula
- C33H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)OCCCc1ccccc1 - Molecular Weight1
- 516.80
- 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 | 1.3196 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1065.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.383 | Crippen Calculated Property | |
| McVol | 466.950 | ml/mol | McGowan Calculated Property |
| Pc | 642.87 | kPa | Joback Calculated Property |
| Inp | 3530.00 | NIST | |
| Tboil | 718.77 | K | Relay (1.0) Calculated Property |
| Tc | 920.83 | K | Relay (1.0) Calculated Property |
| Tfus | 309.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1691.14; 1790.57] | J/mol×K | [1130.47; 1412.48] | 
|
| Cp,gas | 1691.14 | J/mol×K | 1130.47 | Joback Calculated Property |
| Cp,gas | 1712.22 | J/mol×K | 1177.47 | Joback Calculated Property |
| Cp,gas | 1731.21 | J/mol×K | 1224.47 | Joback Calculated Property |
| Cp,gas | 1748.32 | J/mol×K | 1271.47 | Joback Calculated Property |
| Cp,gas | 1763.77 | J/mol×K | 1318.48 | Joback Calculated Property |
| Cp,gas | 1777.78 | J/mol×K | 1365.48 | Joback Calculated Property |
| Cp,gas | 1790.57 | J/mol×K | 1412.48 | Joback Calculated Property |
| η | [0.0000054; 0.0001142] | Pa×s | [634.83; 1130.47] |
|
| η | 0.0001142 | Pa×s | 634.83 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 717.44 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 800.04 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 882.65 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 965.26 | Joback Calculated Property |
| η | 0.0000073 | Pa×s | 1047.86 | Joback Calculated Property |
| η | 0.0000054 | Pa×s | 1130.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptadecyl 3-phenylpropyl ester.
Sources
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