Chemical Properties of allo-9-aromadendrene

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11?,12-,13?,14-/m1/s1

InChI Key

ITYNGVSTWVVPIC-DGOFFYKESA-N

Formula

C15H24

SMILES

C=C1CCC2C(C3C(C)CCC13)C2(C)C

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.
• 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°	257.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-108.39	kJ/mol	Joback Calculated Property
ΔfusH°	20.57	kJ/mol	Joback Calculated Property
ΔvapH°	47.15	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	1970.05	kPa	Joback Calculated Property
Inp	[1469.00; 1490.00]
Inp	1469.00		NIST
Inp	1490.00		NIST
Inp	1490.00		NIST
Inp	1469.00		NIST
I	[1653.00; 1653.00]
I	1653.00		NIST
I	1653.00		NIST
Tboil	556.75	K	Joback Calculated Property
Tc	772.11	K	Joback Calculated Property
Tfus	330.45	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.38; 626.94]	J/mol×K	[556.75; 772.11]
Cp,gas	503.38	J/mol×K	556.75	Joback Calculated Property
Cp,gas	527.20	J/mol×K	592.64	Joback Calculated Property
Cp,gas	549.51	J/mol×K	628.54	Joback Calculated Property
Cp,gas	570.48	J/mol×K	664.43	Joback Calculated Property
Cp,gas	590.26	J/mol×K	700.32	Joback Calculated Property
Cp,gas	609.03	J/mol×K	736.21	Joback Calculated Property
Cp,gas	626.94	J/mol×K	772.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to allo-9-aromadendrene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.