- InChI
- InChI=1S/C32H54O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-30(33)32(7-2,8-3)31(34)37-29-25-22-21-24-28(29)36-27(4)5/h21-22,24-25,27H,6-20,23,26H2,1-5H3
- InChI Key
- LWAJEPXWMBSOKJ-UHFFFAOYSA-N
- Formula
- C32H54O5
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)Oc1ccccc1OC(C)C - Molecular Weight1
- 518.77
- 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 | 1.3086 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1201.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.210 | Crippen Calculated Property | |
| McVol | 458.730 | ml/mol | McGowan Calculated Property |
| Pc | 667.01 | kPa | Joback Calculated Property |
| Inp | 3347.00 | NIST | |
| Tboil | 695.37 | K | Relay (1.0) Calculated Property |
| Tc | 913.99 | K | Relay (1.0) Calculated Property |
| Tfus | 324.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1652.41; 1728.53] | J/mol×K | [1134.55; 1414.02] | 
|
| Cp,gas | 1652.41 | J/mol×K | 1134.55 | Joback Calculated Property |
| Cp,gas | 1670.73 | J/mol×K | 1181.13 | Joback Calculated Property |
| Cp,gas | 1686.59 | J/mol×K | 1227.71 | Joback Calculated Property |
| Cp,gas | 1700.14 | J/mol×K | 1274.28 | Joback Calculated Property |
| Cp,gas | 1711.54 | J/mol×K | 1320.86 | Joback Calculated Property |
| Cp,gas | 1720.95 | J/mol×K | 1367.44 | Joback Calculated Property |
| Cp,gas | 1728.53 | J/mol×K | 1414.02 | Joback Calculated Property |
| η | [0.0000043; 0.0000852] | Pa×s | [643.31; 1134.55] |
|
| η | 0.0000852 | Pa×s | 643.31 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 725.18 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 807.06 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 888.93 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 970.80 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 1052.68 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 1134.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester.
Sources
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