- InChI
- InChI=1S/C25H48O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-28-23(26)25(7-2,8-3)24(27)29-21-22(4)5/h22H,6-21H2,1-5H3
- InChI Key
- FDNAWGMXDMMXAN-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C
(=O)OCC(C)C - Molecular Weight1
- 412.65
- 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 | 1.0817 | Relay (1.0) Calculated Property | |
| ΔfG° | -307.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1165.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.236 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 816.79 | kPa | Joback Calculated Property |
| Inp | [2557.00; 2557.00] |
|
|
| Inp | 2557.00 | NIST | |
| Inp | 2557.00 | NIST | |
| Tboil | 631.47 | K | Relay (1.0) Calculated Property |
| Tc | 816.07 | K | Relay (1.0) Calculated Property |
| Tfus | 291.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.45; 1383.09] | J/mol×K | [920.31; 1127.45] |
|
| Cp,gas | 1281.45 | J/mol×K | 920.31 | Joback Calculated Property |
| Cp,gas | 1301.73 | J/mol×K | 954.83 | Joback Calculated Property |
| Cp,gas | 1320.61 | J/mol×K | 989.36 | Joback Calculated Property |
| Cp,gas | 1338.12 | J/mol×K | 1023.88 | Joback Calculated Property |
| Cp,gas | 1354.33 | J/mol×K | 1058.41 | Joback Calculated Property |
| Cp,gas | 1369.31 | J/mol×K | 1092.93 | Joback Calculated Property |
| Cp,gas | 1383.09 | J/mol×K | 1127.45 | Joback Calculated Property |
| η | [0.0000178; 0.0004880] | Pa×s | [503.25; 920.31] |
|
| η | 0.0004880 | Pa×s | 503.25 | Joback Calculated Property |
| η | 0.0002009 | Pa×s | 572.76 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 642.27 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 711.78 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 781.29 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 850.80 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 920.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl tetradecyl ester.
Sources
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