Chemical Properties of Allohedycariol

InChI

InChI=1S/C15H26/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h9,11-12,14-15H,3,5-8,10H2,1-2,4H3/b11-9+

InChI Key

ZWZJYKZYTGYQBZ-PKNBQFBNSA-N

Formula

C15H26

SMILES

C=C1CCCC(C)/C=C/C(C(C)C)CC1

Molecular Weight¹

206.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[257.98; 729.37]	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			-6.25100e+01
Coefficient B			1.31846e+00
Coefficient C			-5.30280e-04
Coefficient D			3.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.98	J/mol×K	273.00	Calculated Property
Cp,gas	337.73	J/mol×K	353.78	Calculated Property
Cp,gas	410.60	J/mol×K	434.56	Calculated Property
Cp,gas	476.62	J/mol×K	515.33	Calculated Property
Cp,gas	535.79	J/mol×K	596.11	Calculated Property
Cp,gas	588.13	J/mol×K	676.89	Calculated Property
Cp,gas	633.64	J/mol×K	757.67	Calculated Property
Cp,gas	672.35	J/mol×K	838.44	Calculated Property
Cp,gas	704.25	J/mol×K	919.22	Calculated Property
Cp,gas	729.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0136559; 0.0000896]	Pa×s	[247.31; 554.95]	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			-1.33613e+01
Coefficient B			2.24254e+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.			247.31
Temperature range, max.			554.95
η	0.0136559	Pa×s	247.31	Calculated Property
η	0.0045406	Pa×s	281.49	Calculated Property
η	0.0019163	Pa×s	315.67	Calculated Property
η	0.0009573	Pa×s	349.86	Calculated Property
η	0.0005411	Pa×s	384.04	Calculated Property
η	0.0003357	Pa×s	418.22	Calculated Property
η	0.0002239	Pa×s	452.40	Calculated Property
η	0.0001580	Pa×s	486.59	Calculated Property
η	0.0001168	Pa×s	520.77	Calculated Property
η	0.0000896	Pa×s	554.95	Calculated Property

Similar Compounds

Find more compounds similar to Allohedycariol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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