- InChI
- InChI=1S/C23H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22(24)19-23(25)27-20-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- NVKNMHHJNRCDBI-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CC(=O)OC
C(C)C - Molecular Weight1
- 384.59
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -327.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1012.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.72 | kJ/mol | Joback Calculated Property |
| log10WS | -6.93 | Crippen Calculated Property | |
| logPoct/wat | 6.600 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 903.97 | kPa | Joback Calculated Property |
| Inp | 2581.00 | NIST | |
| Tboil | 877.78 | K | Joback Calculated Property |
| Tc | 1074.72 | K | Joback Calculated Property |
| Tfus | 478.29 | K | Joback Calculated Property |
| Vc | 1.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1154.96; 1253.72] | J/mol×K | [877.78; 1074.72] | 
|
| Cp,gas | 1154.96 | J/mol×K | 877.78 | Joback Calculated Property |
| Cp,gas | 1174.58 | J/mol×K | 910.60 | Joback Calculated Property |
| Cp,gas | 1192.90 | J/mol×K | 943.43 | Joback Calculated Property |
| Cp,gas | 1209.94 | J/mol×K | 976.25 | Joback Calculated Property |
| Cp,gas | 1225.74 | J/mol×K | 1009.07 | Joback Calculated Property |
| Cp,gas | 1240.32 | J/mol×K | 1041.89 | Joback Calculated Property |
| Cp,gas | 1253.72 | J/mol×K | 1074.72 | Joback Calculated Property |
| η | [0.0000313; 0.0006901] | Pa×s | [478.29; 877.78] |
|
| η | 0.0006901 | Pa×s | 478.29 | Joback Calculated Property |
| η | 0.0003008 | Pa×s | 544.87 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 611.45 | Joback Calculated Property |
| η | 0.0000932 | Pa×s | 678.03 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 744.62 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 811.20 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 877.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, hexadecyl isobutyl ester.
Sources
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