Chemical Properties of Dihydroisocaryophyllene

InChI

InChI=1S/C15H26/c1-11-6-5-7-14-13(10-15(14,3)4)12(2)9-8-11/h11,13-14H,2,5-10H2,1,3-4H3

InChI Key

HIRBDDHEFKISPT-UHFFFAOYSA-N

Formula

C15H26

SMILES

C=C1CCC(C)CCCC2C1CC2(C)C

Molecular Weight¹

206.37

• 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°	168.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.33	kJ/mol	Joback Calculated Property
ΔfusH°	15.06	kJ/mol	Joback Calculated Property
ΔvapH°	48.06	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	4.805		Crippen Calculated Property
McVol	196.190	ml/mol	McGowan Calculated Property
Pc	1932.13	kPa	Joback Calculated Property
Inp	[1503.00; 1519.00]
Inp	1503.00		NIST
Inp	1519.00		NIST
Inp	1503.00		NIST
I	[1661.00; 1682.00]
I	1661.00		NIST
I	1682.00		NIST
I	1661.00		NIST
Tboil	567.49	K	Joback Calculated Property
Tc	790.01	K	Joback Calculated Property
Tfus	306.19	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.19; 653.96]	J/mol×K	[567.49; 790.01]
Cp,gas	521.19	J/mol×K	567.49	Joback Calculated Property
Cp,gas	546.68	J/mol×K	604.58	Joback Calculated Property
Cp,gas	570.65	J/mol×K	641.66	Joback Calculated Property
Cp,gas	593.23	J/mol×K	678.75	Joback Calculated Property
Cp,gas	614.55	J/mol×K	715.83	Joback Calculated Property
Cp,gas	634.76	J/mol×K	752.92	Joback Calculated Property
Cp,gas	653.96	J/mol×K	790.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydroisocaryophyllene.

Sources

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

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