Chemical Properties of Aromandendrene (CAS 489-39-4)

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

InChI Key

ITYNGVSTWVVPIC-UHFFFAOYSA-N

Formula

C15H24

SMILES

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

Molecular Weight¹

204.35

CAS

489-39-4

Other Names

• 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a«alpha»,4a«alpha»,7«alpha»,7a«beta»,7b«alpha»)]-
• 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-(+)-
• (1aR,4aR,7R,7aR,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene
• Aromadendr-7(15)-ene
• (+)-Aromadendrene
• Aromadendrene, (+)-
• 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene-, [1aR-(1a«alpha»,4a«alpha»,7«alpha»,7a«beta»,7b«alpha»)]-
• [1aR-(1a«alpha»,4a«alpha»,7«alpha»,7a«beta»,7b«alpha»)]-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3324		Relay (1.0) Calculated Property
ΔfG°	257.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.57	kJ/mol	Joback Calculated Property
ΔvapH°	63.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-5.78		Relay (1.0) 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	[1436.00; 1455.00]
Inp	1455.00		NIST
Inp	1440.00		NIST
Inp	1439.00		NIST
Inp	1441.00		NIST
Inp	1439.00		NIST
Inp	1447.00		NIST
Inp	1436.00		NIST
Inp	1447.00		NIST
Inp	1455.00		NIST
I	[1622.00; 1637.00]
I	1635.00		NIST
I	1637.00		NIST
I	1622.00		NIST
I	1637.00		NIST
Tboil	535.50 ± 2.50	K	NIST
Tc	764.90	K	Relay (1.0) Calculated Property
Tfus	299.34	K	Relay (1.0) Calculated Property
Vc	0.647	m3/kmol	Relay (1.0) 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 Aromandendrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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