- InChI
- InChI=1S/C17H32O4/c1-3-5-12-15-21-17(19)14-11-9-7-6-8-10-13-16(18)20-4-2/h3-15H2,1-2H3
- InChI Key
- CURRXSHYCLPKRG-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
- CCCCCOC(=O)CCCCCCCCC(=O)OCC
- Molecular Weight1
- 300.44
- 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 | 0.9327 | Relay (1.0) Calculated Property | |
| ΔfG° | -528.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.404 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Inp | 2097.00 | NIST | |
| Tboil | 586.81 | K | Relay (1.0) Calculated Property |
| Tc | 758.86 | K | Relay (1.0) Calculated Property |
| Tfus | 269.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.038 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.79; 912.59] | 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 | 3.82530e+01 | |||
| Coefficient B | 1.50924e+00 | |||
| Coefficient C | -7.11800e-04 | |||
| Coefficient D | 7.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 398.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 486.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 566.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 637.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 701.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 757.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 806.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 848.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 883.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 912.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022371; 0.0001151] | Pa×s | [366.01; 613.67] |
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 | -1.34538e+01 | |||
| Coefficient B | 2.69060e+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. | 366.01 | |||
| Temperature range, max. | 613.67 | |||
| η | 0.0022371 | Pa×s | 366.01 | Calculated Property |
| η | 0.0013379 | Pa×s | 393.53 | Calculated Property |
| η | 0.0008558 | Pa×s | 421.05 | Calculated Property |
| η | 0.0005782 | Pa×s | 448.56 | Calculated Property |
| η | 0.0004088 | Pa×s | 476.08 | Calculated Property |
| η | 0.0003002 | Pa×s | 503.60 | Calculated Property |
| η | 0.0002276 | Pa×s | 531.12 | Calculated Property |
| η | 0.0001773 | Pa×s | 558.64 | Calculated Property |
| η | 0.0001415 | Pa×s | 586.16 | Calculated Property |
| η | 0.0001151 | Pa×s | 613.67 | Calculated Property |
Similar Compounds
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Sources
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