- InChI
- InChI=1S/C15H28O4/c1-3-5-6-10-13-19-15(17)12-9-7-8-11-14(16)18-4-2/h3-13H2,1-2H3
- InChI Key
- UNVQGXRYENKZPR-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- CCCCCCOC(=O)CCCCCC(=O)OCC
- 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).
- 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 | 0.8604 | Relay (1.0) Calculated Property | |
| ΔfG° | -545.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -976.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.623 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | [1502.00; 1502.00] |
|
|
| Inp | 1502.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Tboil | 570.18 | K | Relay (1.0) Calculated Property |
| Tc | 740.84 | K | Relay (1.0) Calculated Property |
| Tfus | 255.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.36; 809.41] | 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 | 4.00710e+01 | |||
| Coefficient B | 1.31924e+00 | |||
| Coefficient C | -6.03000e-04 | |||
| Coefficient D | 5.31000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 356.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 567.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 623.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 673.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 716.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 753.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 784.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 809.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028271; 0.0001438] | Pa×s | [343.47; 581.01] |
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 | -1.31538e+01 | |||
| Coefficient B | 2.50228e+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. | 343.47 | |||
| Temperature range, max. | 581.01 | |||
| η | 0.0028271 | Pa×s | 343.47 | Calculated Property |
| η | 0.0016810 | Pa×s | 369.86 | Calculated Property |
| η | 0.0010712 | Pa×s | 396.26 | Calculated Property |
| η | 0.0007221 | Pa×s | 422.65 | Calculated Property |
| η | 0.0005099 | Pa×s | 449.05 | Calculated Property |
| η | 0.0003742 | Pa×s | 475.44 | Calculated Property |
| η | 0.0002837 | Pa×s | 501.83 | Calculated Property |
| η | 0.0002212 | Pa×s | 528.23 | Calculated Property |
| η | 0.0001765 | Pa×s | 554.62 | Calculated Property |
| η | 0.0001438 | Pa×s | 581.01 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl hexyl ester.
Sources
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