- InChI
- InChI=1S/C33H64O4/c1-6-10-12-14-15-16-17-18-19-20-21-22-23-24-25-27-29-36-31(34)33(8-3,9-4)32(35)37-30(5)28-26-13-11-7-2/h30H,6-29H2,1-5H3
- InChI Key
- SBJJIHPRJNSUFT-UHFFFAOYSA-N
- Formula
- C33H64O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OC(C)CCCCCC - Molecular Weight1
- 524.86
- 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 | 1.3469 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1329.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.500 | Crippen Calculated Property | |
| McVol | 490.710 | ml/mol | McGowan Calculated Property |
| Pc | 549.23 | kPa | Joback Calculated Property |
| Inp | [3270.00; 3270.00] |
|
|
| Inp | 3270.00 | NIST | |
| Inp | 3270.00 | NIST | |
| Tboil | 675.02 | K | Relay (1.0) Calculated Property |
| Tc | 871.00 | K | Relay (1.0) Calculated Property |
| Tfus | 299.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1802.93; 1922.64] | J/mol×K | [1103.35; 1402.99] |
|
| Cp,gas | 1802.93 | J/mol×K | 1103.35 | Joback Calculated Property |
| Cp,gas | 1829.08 | J/mol×K | 1153.29 | Joback Calculated Property |
| Cp,gas | 1852.42 | J/mol×K | 1203.23 | Joback Calculated Property |
| Cp,gas | 1873.21 | J/mol×K | 1253.17 | Joback Calculated Property |
| Cp,gas | 1891.68 | J/mol×K | 1303.11 | Joback Calculated Property |
| Cp,gas | 1908.08 | J/mol×K | 1353.05 | Joback Calculated Property |
| Cp,gas | 1922.64 | J/mol×K | 1402.99 | Joback Calculated Property |
| η | [0.0000047; 0.0001480] | Pa×s | [593.41; 1103.35] |
|
| η | 0.0001480 | Pa×s | 593.41 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 678.40 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 763.39 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 848.38 | Joback Calculated Property |
| η | 0.0000097 | Pa×s | 933.37 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 1018.36 | Joback Calculated Property |
| η | 0.0000047 | Pa×s | 1103.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octadecyl 2-octyl ester.
Sources
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