Chemical Properties of Di-epi-«alpha»-cedrene-(I) (CAS 21996-77-0)

InChI

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

InChI Key

KANBSDYNZJCGLT-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1C=CC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

204.35

CAS

21996-77-0

Other Names

• Cedr-9-ene

• 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°	229.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-119.61	kJ/mol	Joback Calculated Property
ΔfusH°	16.65	kJ/mol	Joback Calculated Property
ΔvapH°	46.13	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2083.12	kPa	Joback Calculated Property
Inp	[1375.00; 1388.20]
Inp	1388.20		NIST
Inp	1375.00		NIST
Tboil	556.99	K	Joback Calculated Property
Tc	781.41	K	Joback Calculated Property
Tfus	341.43	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.19; 627.34]	J/mol×K	[556.99; 781.41]
Cp,gas	503.19	J/mol×K	556.99	Joback Calculated Property
Cp,gas	527.15	J/mol×K	594.39	Joback Calculated Property
Cp,gas	549.41	J/mol×K	631.80	Joback Calculated Property
Cp,gas	570.27	J/mol×K	669.20	Joback Calculated Property
Cp,gas	590.02	J/mol×K	706.60	Joback Calculated Property
Cp,gas	608.95	J/mol×K	744.01	Joback Calculated Property
Cp,gas	627.34	J/mol×K	781.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Di-epi-«alpha»-cedrene-(I).

Sources

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

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