- InChI
- InChI=1S/C11H20O4/c1-4-7-9(5-2)15-11(13)8-10(12)14-6-3/h9H,4-8H2,1-3H3
- InChI Key
- MBSLKFCEANRGKO-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCCC(CC)OC(=O)CC(=O)OCC
- Molecular Weight1
- 216.27
- 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 | 0.6580 | Relay (1.0) Calculated Property | |
| ΔfG° | -581.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -920.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.062 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [1388.00; 1388.00] |
|
|
| Inp | 1388.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Tboil | 506.58 | K | Relay (1.0) Calculated Property |
| Tc | 689.72 | K | Relay (1.0) Calculated Property |
| Tfus | 186.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.19; 603.59] | 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 | 4.20250e+01 | |||
| Coefficient B | 9.45160e-01 | |||
| Coefficient C | -3.88600e-04 | |||
| Coefficient D | 5.00000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 426.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 468.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 505.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 537.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 564.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 586.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 603.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061690; 0.0001900] | Pa×s | [283.39; 520.80] |
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 | -1.27224e+01 | |||
| Coefficient B | 2.16346e+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. | 283.39 | |||
| Temperature range, max. | 520.80 | |||
| η | 0.0061690 | Pa×s | 283.39 | Calculated Property |
| η | 0.0032201 | Pa×s | 309.77 | Calculated Property |
| η | 0.0018614 | Pa×s | 336.15 | Calculated Property |
| η | 0.0011654 | Pa×s | 362.53 | Calculated Property |
| η | 0.0007774 | Pa×s | 388.91 | Calculated Property |
| η | 0.0005460 | Pa×s | 415.29 | Calculated Property |
| η | 0.0004000 | Pa×s | 441.66 | Calculated Property |
| η | 0.0003035 | Pa×s | 468.04 | Calculated Property |
| η | 0.0002372 | Pa×s | 494.42 | Calculated Property |
| η | 0.0001900 | Pa×s | 520.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, ethyl 3-hexyl ester.
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