Chemical Properties of 1,7-di-epi-«alpha»-Cedrene

InChI

InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15-/m0/s1

InChI Key

IRAQOCYXUMOFCW-JLNYLFASSA-N

Formula

C15H24

SMILES

CC1=CCC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

204.35

• 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.
• 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°	227.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-110.74	kJ/mol	Joback Calculated Property
ΔfusH°	15.19	kJ/mol	Joback Calculated Property
ΔvapH°	47.10	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1391.00; 1400.00]
Inp	1397.00		NIST
Inp	1399.00		NIST
Inp	1400.00		NIST
Inp	1391.00		NIST
Inp	1399.00		NIST
Tboil	566.64	K	Joback Calculated Property
Tc	792.17	K	Joback Calculated Property
Tfus	358.19	K	Joback Calculated Property
Vc	0.711	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.55; 623.74]	J/mol×K	[566.64; 792.17]
Cp,gas	503.55	J/mol×K	566.64	Joback Calculated Property
Cp,gas	526.55	J/mol×K	604.23	Joback Calculated Property
Cp,gas	547.97	J/mol×K	641.82	Joback Calculated Property
Cp,gas	568.10	J/mol×K	679.41	Joback Calculated Property
Cp,gas	587.25	J/mol×K	716.99	Joback Calculated Property
Cp,gas	605.70	J/mol×K	754.58	Joback Calculated Property
Cp,gas	623.74	J/mol×K	792.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,7-di-epi-«alpha»-Cedrene.

Sources

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

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