- InChI
- InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-26-34-29(32)31(5-2,6-3)30(33)35-27-25-28-23-20-19-21-24-28/h19-21,23-24H,4-18,22,25-27H2,1-3H3
- InChI Key
- GBNONUOBEKTNHK-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)OCCc1ccccc1 - Molecular Weight1
- 488.74
- 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 | 1.2500 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1023.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.603 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 710.35 | kPa | Joback Calculated Property |
| Inp | [3266.00; 3266.00] |
|
|
| Inp | 3266.00 | NIST | |
| Inp | 3266.00 | NIST | |
| Tboil | 701.78 | K | Relay (1.0) Calculated Property |
| Tc | 908.89 | K | Relay (1.0) Calculated Property |
| Tfus | 304.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1561.76; 1656.06] | J/mol×K | [1084.71; 1341.44] |
|
| Cp,gas | 1561.76 | J/mol×K | 1084.71 | Joback Calculated Property |
| Cp,gas | 1581.52 | J/mol×K | 1127.50 | Joback Calculated Property |
| Cp,gas | 1599.47 | J/mol×K | 1170.29 | Joback Calculated Property |
| Cp,gas | 1615.74 | J/mol×K | 1213.08 | Joback Calculated Property |
| Cp,gas | 1630.49 | J/mol×K | 1255.86 | Joback Calculated Property |
| Cp,gas | 1643.88 | J/mol×K | 1298.65 | Joback Calculated Property |
| Cp,gas | 1656.06 | J/mol×K | 1341.44 | Joback Calculated Property |
| η | [0.0000075; 0.0001528] | Pa×s | [612.29; 1084.71] |
|
| η | 0.0001528 | Pa×s | 612.29 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 691.03 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 769.76 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 848.50 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 927.24 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 1005.97 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 1084.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexadecyl phenethyl ester.
Sources
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