Chemical Properties of 1,2-Dehydrosesquicineole

InChI

InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7H,5,8-11H2,1-4H3/t14-,15?/m1/s1

InChI Key

GWHXPRLXLILZQF-GICMACPYSA-N

Formula

C15H24O

SMILES

CC(C)=CCCC1(C)OC2(C)CC=C1CC2

Molecular Weight¹

220.35

• 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_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
ΔfG°	167.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.43	kJ/mol	Joback Calculated Property
ΔfusH°	21.78	kJ/mol	Joback Calculated Property
ΔvapH°	52.35	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	4.391		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2086.93	kPa	Joback Calculated Property
Inp	1460.00		NIST
I	[1738.00; 1738.00]
I	1738.00		NIST
I	1738.00		NIST
Tboil	600.23	K	Joback Calculated Property
Tc	821.16	K	Joback Calculated Property
Tfus	356.26	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.26; 636.62]	J/mol×K	[600.23; 821.16]
Cp,gas	530.26	J/mol×K	600.23	Joback Calculated Property
Cp,gas	550.02	J/mol×K	637.05	Joback Calculated Property
Cp,gas	568.60	J/mol×K	673.87	Joback Calculated Property
Cp,gas	586.27	J/mol×K	710.69	Joback Calculated Property
Cp,gas	603.31	J/mol×K	747.51	Joback Calculated Property
Cp,gas	620.01	J/mol×K	784.34	Joback Calculated Property
Cp,gas	636.62	J/mol×K	821.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dehydrosesquicineole.

Sources

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

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