- InChI
- InChI=1S/C18H34O4/c1-8-18(9-2,16(19)21-12-14(5)6)17(20)22-15(7)11-10-13(3)4/h13-15H,8-12H2,1-7H3
- InChI Key
- JRKBKQYGSHWCFH-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C
)CCC(C)C - Molecular Weight1
- 314.46
- 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° | -371.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 4.360 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1265.55 | kPa | Joback Calculated Property |
| Inp | 1760.00 | NIST | |
| Tboil | 759.27 | K | Joback Calculated Property |
| Tc | 947.34 | K | Joback Calculated Property |
| Tfus | 394.36 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.50; 946.02] | J/mol×K | [759.27; 947.34] | 
|
| Cp,gas | 852.50 | J/mol×K | 759.27 | Joback Calculated Property |
| Cp,gas | 870.61 | J/mol×K | 790.61 | Joback Calculated Property |
| Cp,gas | 887.68 | J/mol×K | 821.96 | Joback Calculated Property |
| Cp,gas | 903.72 | J/mol×K | 853.30 | Joback Calculated Property |
| Cp,gas | 918.78 | J/mol×K | 884.65 | Joback Calculated Property |
| Cp,gas | 932.87 | J/mol×K | 915.99 | Joback Calculated Property |
| Cp,gas | 946.02 | J/mol×K | 947.34 | Joback Calculated Property |
| η | [0.0000451; 0.0019641] | Pa×s | [394.36; 759.27] |
|
| η | 0.0019641 | Pa×s | 394.36 | Joback Calculated Property |
| η | 0.0006880 | Pa×s | 455.18 | Joback Calculated Property |
| η | 0.0003086 | Pa×s | 516.00 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 576.82 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 637.63 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 698.45 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 759.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 5-methylhex-2-yl ester.
Sources
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