- InChI
- InChI=1S/C15H30O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h12-15H,5-11H2,1-4H3
- InChI Key
- BTCKFZHMWUFBQY-UHFFFAOYSA-N
- Formula
- C15H30O
- SMILES
- CC(C)CCCC(C)CCCC(C)CC=O
- Molecular Weight1
- 226.40
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.6388 | Relay (1.0) Calculated Property | |
| ΔfusH° | 26.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.844 | Crippen Calculated Property | |
| McVol | 223.780 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Inp | [1760.00; 1760.00] |
|
|
| Inp | 1760.00 | NIST | |
| Inp | 1760.00 | NIST | |
| Tboil | 541.54 | K | Relay (1.0) Calculated Property |
| Tc | 722.96 | K | Relay (1.0) Calculated Property |
| Tfus | 237.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.66; 785.59] | 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 | -4.39300e+00 | |||
| Coefficient B | 1.42108e+00 | |||
| Coefficient C | -7.94800e-04 | |||
| Coefficient D | 1.63700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 476.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 539.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 594.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 644.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 687.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 724.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 757.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 785.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0139918; 0.0002251] | Pa×s | [255.81; 533.66] |
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 | -1.22007e+01 | |||
| Coefficient B | 2.02893e+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. | 255.81 | |||
| Temperature range, max. | 533.66 | |||
| η | 0.0139918 | Pa×s | 255.81 | Calculated Property |
| η | 0.0059557 | Pa×s | 286.68 | Calculated Property |
| η | 0.0029931 | Pa×s | 317.55 | Calculated Property |
| η | 0.0016992 | Pa×s | 348.43 | Calculated Property |
| η | 0.0010578 | Pa×s | 379.30 | Calculated Property |
| η | 0.0007072 | Pa×s | 410.17 | Calculated Property |
| η | 0.0005003 | Pa×s | 441.04 | Calculated Property |
| η | 0.0003702 | Pa×s | 471.92 | Calculated Property |
| η | 0.0002843 | Pa×s | 502.79 | Calculated Property |
| η | 0.0002251 | Pa×s | 533.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Farnasal.
Sources
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