- InChI
- InChI=1S/C27H52O4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-31-26(29)27(3,4)25(28)30-23-21-10-8-6-2/h5-24H2,1-4H3
- InChI Key
- MOLVUMVMQISKJJ-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C
(=O)OCCCCCC - Molecular Weight1
- 440.70
- 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° | -288.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1098.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.71 | kJ/mol | Joback Calculated Property |
| log10WS | -8.61 | Crippen Calculated Property | |
| logPoct/wat | 8.161 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 730.86 | kPa | Joback Calculated Property |
| Inp | [2802.00; 2802.00] |
|
|
| Inp | 2802.00 | NIST | |
| Inp | 2802.00 | NIST | |
| Tboil | 966.51 | K | Joback Calculated Property |
| Tc | 1190.06 | K | Joback Calculated Property |
| Tfus | 540.79 | K | Joback Calculated Property |
| Vc | 1.585 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.34; 1515.58] | J/mol×K | [966.51; 1190.06] |
|
| Cp,gas | 1409.34 | J/mol×K | 966.51 | Joback Calculated Property |
| Cp,gas | 1430.89 | J/mol×K | 1003.77 | Joback Calculated Property |
| Cp,gas | 1450.80 | J/mol×K | 1041.03 | Joback Calculated Property |
| Cp,gas | 1469.14 | J/mol×K | 1078.28 | Joback Calculated Property |
| Cp,gas | 1486.00 | J/mol×K | 1115.54 | Joback Calculated Property |
| Cp,gas | 1501.45 | J/mol×K | 1152.80 | Joback Calculated Property |
| Cp,gas | 1515.58 | J/mol×K | 1190.06 | Joback Calculated Property |
| η | [0.0000141; 0.0003183] | Pa×s | [540.79; 966.51] |
|
| η | 0.0003183 | Pa×s | 540.79 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 611.74 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 682.70 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 753.65 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 824.60 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 895.56 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 966.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexadecyl hexyl ester.
Sources
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