Chemical Properties of 4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl- (CAS 67999-56-8)

InChI

InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3

InChI Key

VQHLGZRKOZIABH-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1(C)CCC2OC23C(C)(C)C2CCC13C2

Molecular Weight¹

220.35

CAS

67999-56-8

Other Names

• octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene

• 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	0.3760		Relay (... Calculated Property
ΔfG°	194.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.52	kJ/mol	Relay (... Calculated Property
ΔfusH°	12.07	kJ/mol	Joback Calculated Property
ΔvapH°	69.20	kJ/mol	Relay (... Calculated Property
IE	8.63	eV	Relay (... Calculated Property
log10WS	-4.48		Relay (... Calculated Property
logPoct/wat	3.770		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Pc	2419.50	kPa	Joback Calculated Property
Inp	[1544.00; 1544.00]
Inp	1544.00		NIST
Inp	1544.00		NIST
Tboil	523.87	K	Relay (... Calculated Property
Tc	802.88	K	Relay (... Calculated Property
Tfus	454.98	K	Relay (... Calculated Property
Vc	0.700	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.28; 658.40]	J/mol×K	[588.13; 827.05]
Cp,gas	538.28	J/mol×K	588.13	Joback Calculated Property
Cp,gas	560.07	J/mol×K	627.95	Joback Calculated Property
Cp,gas	580.30	J/mol×K	667.77	Joback Calculated Property
Cp,gas	599.60	J/mol×K	707.59	Joback Calculated Property
Cp,gas	618.63	J/mol×K	747.41	Joback Calculated Property
Cp,gas	638.01	J/mol×K	787.23	Joback Calculated Property
Cp,gas	658.40	J/mol×K	827.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-.

Sources

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

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