- InChI
- InChI=1S/C16H30O4/c1-6-7-8-11-19-14(17)16(4,5)15(18)20-12-9-10-13(2)3/h13H,6-12H2,1-5H3
- InChI Key
- KQHCDIUMGZKJOS-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)OCCCC(C
)C - Molecular Weight1
- 286.41
- 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 | 0.7712 | Relay (1.0) Calculated Property | |
| ΔfG° | -536.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.725 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | 1696.00 | NIST | |
| Tboil | 547.86 | K | Relay (1.0) Calculated Property |
| Tc | 737.27 | K | Relay (1.0) Calculated Property |
| Tfus | 236.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.958 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.34; 812.69] | J/mol×K | [678.45; 857.63] | 
|
| Cp,gas | 721.34 | J/mol×K | 678.45 | Joback Calculated Property |
| Cp,gas | 738.91 | J/mol×K | 708.31 | Joback Calculated Property |
| Cp,gas | 755.51 | J/mol×K | 738.18 | Joback Calculated Property |
| Cp,gas | 771.17 | J/mol×K | 768.04 | Joback Calculated Property |
| Cp,gas | 785.91 | J/mol×K | 797.90 | Joback Calculated Property |
| Cp,gas | 799.74 | J/mol×K | 827.76 | Joback Calculated Property |
| Cp,gas | 812.69 | J/mol×K | 857.63 | Joback Calculated Property |
| η | [0.0000593; 0.0038156] | Pa×s | [342.16; 678.45] |
|
| η | 0.0038156 | Pa×s | 342.16 | Joback Calculated Property |
| η | 0.0011694 | Pa×s | 398.21 | Joback Calculated Property |
| η | 0.0004799 | Pa×s | 454.26 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 510.31 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 566.35 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 622.40 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 678.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl pentyl ester.
Sources
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