- InChI
- InChI=1S/C16H30O4/c1-4-5-6-7-8-9-11-19-15(17)13-16(18)20-12-10-14(2)3/h14H,4-13H2,1-3H3
- InChI Key
- ZBFGRJCGZFSXFD-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCCCCCCOC(=O)CC(=O)OCCC(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 | 0.8616 | Relay (1.0) Calculated Property | |
| ΔfG° | -539.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1008.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1335.88 | kPa | Joback Calculated Property |
| Inp | [1888.00; 1888.00] |
|
|
| Inp | 1888.00 | NIST | |
| Inp | 1888.00 | NIST | |
| Tboil | 576.54 | K | Relay (1.0) Calculated Property |
| Tc | 751.46 | K | Relay (1.0) Calculated Property |
| Tfus | 212.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.03; 808.97] | J/mol×K | [681.68; 854.67] |
|
| Cp,gas | 719.03 | J/mol×K | 681.68 | Joback Calculated Property |
| Cp,gas | 736.17 | J/mol×K | 710.51 | Joback Calculated Property |
| Cp,gas | 752.43 | J/mol×K | 739.34 | Joback Calculated Property |
| Cp,gas | 767.83 | J/mol×K | 768.17 | Joback Calculated Property |
| Cp,gas | 782.38 | J/mol×K | 797.01 | Joback Calculated Property |
| Cp,gas | 796.09 | J/mol×K | 825.84 | Joback Calculated Property |
| Cp,gas | 808.97 | J/mol×K | 854.67 | Joback Calculated Property |
| η | [0.0000696; 0.0034040] | Pa×s | [339.74; 681.68] |
|
| η | 0.0034040 | Pa×s | 339.74 | Joback Calculated Property |
| η | 0.0011175 | Pa×s | 396.73 | Joback Calculated Property |
| η | 0.0004853 | Pa×s | 453.72 | Joback Calculated Property |
| η | 0.0002539 | Pa×s | 510.71 | Joback Calculated Property |
| η | 0.0001513 | Pa×s | 567.70 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 624.69 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 681.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3-methylbutyl octyl ester.
Sources
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