Chemical Properties of (3aR,4R,8R,8aS)-3a,4,7,8a-Tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene (CAS 53060-59-6)

InChI

InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3

InChI Key

RMKQBFUAKZOVPQ-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CCC2(C)CC1C1(C)CCCC21C

Molecular Weight¹

204.35

CAS

53060-59-6

• 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.
• 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	0.3197		Relay (... Calculated Property
ΔfG°	229.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.82	kJ/mol	Joback Calculated Property
ΔvapH°	62.46	kJ/mol	Relay (... Calculated Property
IE	8.14	eV	Relay (... Calculated Property
log10WS	-4.97		Relay (... Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2278.41	kPa	Joback Calculated Property
Inp	[1415.50; 1457.00]
Inp	1415.50		NIST
Inp	1457.00		NIST
Tboil	524.12	K	Relay (... Calculated Property
Tc	767.91	K	Relay (... Calculated Property
Tfus	379.88	K	Relay (... Calculated Property
Vc	0.657	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.53; 620.08]	J/mol×K	[571.55; 806.48]
Cp,gas	501.53	J/mol×K	571.55	Joback Calculated Property
Cp,gas	523.86	J/mol×K	610.71	Joback Calculated Property
Cp,gas	544.56	J/mol×K	649.86	Joback Calculated Property
Cp,gas	564.09	J/mol×K	689.02	Joback Calculated Property
Cp,gas	582.88	J/mol×K	728.17	Joback Calculated Property
Cp,gas	601.40	J/mol×K	767.33	Joback Calculated Property
Cp,gas	620.08	J/mol×K	806.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3aR,4R,8R,8aS)-3a,4,7,8a-Tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene.

Sources

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

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