Chemical Properties of Dihydrosesquicineole

InChI

InChI=1S/C15H28O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h12-13H,5-11H2,1-4H3/t13?,14-,15-/m0/s1

InChI Key

ANKKQGMQMYAVFB-FGRDXJNISA-N

Formula

C15H28O

SMILES

CC(C)CCCC1(C)OC2(C)CCC1CC2

Molecular Weight¹

224.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	65.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-346.79	kJ/mol	Joback Calculated Property
ΔfusH°	19.61	kJ/mol	Joback Calculated Property
ΔvapH°	50.67	kJ/mol	Joback Calculated Property
log10WS	-4.72		Crippen Calculated Property
logPoct/wat	4.550		Crippen Calculated Property
McVol	206.360	ml/mol	McGowan Calculated Property
Pc	1903.58	kPa	Joback Calculated Property
I	[1794.00; 1794.00]
I	1794.00		NIST
I	1794.00		NIST
Tboil	586.94	K	Joback Calculated Property
Tc	796.45	K	Joback Calculated Property
Tfus	342.78	K	Joback Calculated Property
Vc	0.783	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.46; 689.49]	J/mol×K	[586.94; 796.45]
Cp,gas	571.46	J/mol×K	586.94	Joback Calculated Property
Cp,gas	593.60	J/mol×K	621.86	Joback Calculated Property
Cp,gas	614.46	J/mol×K	656.78	Joback Calculated Property
Cp,gas	634.25	J/mol×K	691.70	Joback Calculated Property
Cp,gas	653.21	J/mol×K	726.61	Joback Calculated Property
Cp,gas	671.55	J/mol×K	761.53	Joback Calculated Property
Cp,gas	689.49	J/mol×K	796.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydrosesquicineole.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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