- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.26; 861.54] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.74800e+01 | |||
| Coefficient B | 1.42016e+00 | |||
| Coefficient C | -6.60600e-04 | |||
| Coefficient D | 6.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 377.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 460.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 602.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 662.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 716.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 762.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 801.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 834.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 861.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034040; 0.0001194] | Pa×s | [339.74; 598.27] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.34366e+01 | |||
| Coefficient B | 2.63426e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 339.74 | |||
| Temperature range, max. | 598.27 | |||
| η | 0.0034040 | Pa×s | 339.74 | Calculated Property |
| η | 0.0018598 | Pa×s | 368.47 | Calculated Property |
| η | 0.0011090 | Pa×s | 397.19 | Calculated Property |
| η | 0.0007090 | Pa×s | 425.92 | Calculated Property |
| η | 0.0004797 | Pa×s | 454.64 | Calculated Property |
| η | 0.0003399 | Pa×s | 483.37 | Calculated Property |
| η | 0.0002504 | Pa×s | 512.09 | Calculated Property |
| η | 0.0001905 | Pa×s | 540.82 | Calculated Property |
| η | 0.0001490 | Pa×s | 569.54 | Calculated Property |
| η | 0.0001194 | Pa×s | 598.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3-methylbutyl octyl ester.
Sources
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