Chemical Properties of Dehydro-sesquicineole

InChI

InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-,14-,15?/m1/s1

InChI Key

VLUGOADEEDGFLB-GRKKQISMSA-N

Formula

C15H24O

SMILES

CC(C)=CCCC1(C)OC2(C)C=CC1CC2

Molecular Weight¹

220.35

Other Names

• Dehydrosesquicineol

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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_np : Non-polar retention indices.
• 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
ω	0.3961		Relay (1.0) Calculated Property
ΔfG°	169.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.24	kJ/mol	Joback Calculated Property
ΔvapH°	63.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[1460.00; 1461.00]
Inp	1461.00		NIST
Inp	1460.00		NIST
I	1823.00		NIST
Tboil	527.58	K	Relay (1.0) Calculated Property
Tc	749.22	K	Relay (1.0) Calculated Property
Tfus	278.45	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.24; 640.79]	J/mol×K	[590.58; 810.51]
Cp,gas	531.24	J/mol×K	590.58	Joback Calculated Property
Cp,gas	551.82	J/mol×K	627.23	Joback Calculated Property
Cp,gas	571.11	J/mol×K	663.89	Joback Calculated Property
Cp,gas	589.38	J/mol×K	700.54	Joback Calculated Property
Cp,gas	606.90	J/mol×K	737.20	Joback Calculated Property
Cp,gas	623.95	J/mol×K	773.85	Joback Calculated Property
Cp,gas	640.79	J/mol×K	810.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydro-sesquicineole.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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