- InChI
- InChI=1S/C15H28O4/c1-4-6-7-8-10-18-14(16)12-15(17)19-11-9-13(3)5-2/h13H,4-12H2,1-3H3
- InChI Key
- XCYBUNVNOPDZSD-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- CCCCCCOC(=O)CC(=O)OCCC(C)CC
- Molecular Weight1
- 272.38
- 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).
- 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 | 0.8155 | Relay (1.0) Calculated Property | |
| ΔfG° | -547.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.51 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.479 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1434.80 | kPa | Joback Calculated Property |
| Inp | [1795.00; 1795.00] |
|
|
| Inp | 1795.00 | NIST | |
| Inp | 1795.00 | NIST | |
| Tboil | 566.70 | K | Relay (1.0) Calculated Property |
| Tc | 747.26 | K | Relay (1.0) Calculated Property |
| Tfus | 198.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.05; 809.95] | 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 | 3.83890e+01 | |||
| Coefficient B | 1.32516e+00 | |||
| Coefficient C | -6.06200e-04 | |||
| Coefficient D | 5.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 356.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 567.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 673.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 717.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 754.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 785.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 809.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038694; 0.0001330] | Pa×s | [328.47; 582.27] |
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 | -1.32878e+01 | |||
| Coefficient B | 2.54010e+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. | 328.47 | |||
| Temperature range, max. | 582.27 | |||
| η | 0.0038694 | Pa×s | 328.47 | Calculated Property |
| η | 0.0020994 | Pa×s | 356.67 | Calculated Property |
| η | 0.0012459 | Pa×s | 384.87 | Calculated Property |
| η | 0.0007940 | Pa×s | 413.07 | Calculated Property |
| η | 0.0005360 | Pa×s | 441.27 | Calculated Property |
| η | 0.0003793 | Pa×s | 469.47 | Calculated Property |
| η | 0.0002791 | Pa×s | 497.67 | Calculated Property |
| η | 0.0002123 | Pa×s | 525.87 | Calculated Property |
| η | 0.0001660 | Pa×s | 554.07 | Calculated Property |
| η | 0.0001330 | Pa×s | 582.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, hexyl 3-methylpentyl ester.
Sources
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