- InChI
- InChI=1S/C16H28O4/c1-5-6-11-19-14(17)16(3,4)15(18)20-13-9-7-12(2)8-10-13/h12-13H,5-11H2,1-4H3
- InChI Key
- IQLMLIBQNRYYIY-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)OC1CCC(C
)CC1 - Molecular Weight1
- 284.39
- 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 | 0.6558 | Relay (1.0) Calculated Property | |
| ΔfG° | -364.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -959.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.478 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Pc | 1637.78 | kPa | Joback Calculated Property |
| Inp | 1853.00 | NIST | |
| Tboil | 566.15 | K | Relay (1.0) Calculated Property |
| Tc | 773.27 | K | Relay (1.0) Calculated Property |
| Tfus | 246.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.895 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.32; 830.64] | J/mol×K | [729.71; 934.09] | 
|
| Cp,gas | 733.32 | J/mol×K | 729.71 | Joback Calculated Property |
| Cp,gas | 752.62 | J/mol×K | 763.77 | Joback Calculated Property |
| Cp,gas | 770.65 | J/mol×K | 797.84 | Joback Calculated Property |
| Cp,gas | 787.44 | J/mol×K | 831.90 | Joback Calculated Property |
| Cp,gas | 803.02 | J/mol×K | 865.96 | Joback Calculated Property |
| Cp,gas | 817.41 | J/mol×K | 900.03 | Joback Calculated Property |
| Cp,gas | 830.64 | J/mol×K | 934.09 | Joback Calculated Property |
| η | [0.0000991; 0.0014733] | Pa×s | [419.96; 729.71] |
|
| η | 0.0014733 | Pa×s | 419.96 | Joback Calculated Property |
| η | 0.0007344 | Pa×s | 471.59 | Joback Calculated Property |
| η | 0.0004200 | Pa×s | 523.21 | Joback Calculated Property |
| η | 0.0002656 | Pa×s | 574.84 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 626.46 | Joback Calculated Property |
| η | 0.0001309 | Pa×s | 678.09 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 729.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl cis-4-methylcyclohexyl ester.
Sources
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