Chemical Properties of 3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7-trimethyl-, [3aR-(3a«alpha»,7«alpha»,9a«beta»)]- (CAS 469-92-1)

InChI

InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3

InChI Key

MKZIRHIVARSBHI-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC12CCCC3(C=CC(C)(C)C3CC1)C2

Molecular Weight¹

204.35

CAS

469-92-1

Other Names

• 3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7«beta»-trimethyl-
• Cloven
• Clovene

• 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	0.3284		Relay (... Calculated Property
ΔfG°	227.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	6.11	kJ/mol	Joback Calculated Property
ΔvapH°	57.92	kJ/mol	Relay (... Calculated Property
IE	8.50	eV	Relay (... Calculated Property
log10WS	-5.81		Relay (... Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[1396.00; 1460.00]
Inp	1440.00		NIST
Inp	1396.00		NIST
Inp	1425.00		NIST
Inp	1460.00		NIST
Inp	1444.00		NIST
Inp	1444.00		NIST
Inp	1396.00		NIST
Inp	1425.00		NIST
I	[1601.00; 1633.00]
I	1601.00		NIST
I	1633.00		NIST
I	1617.00		NIST
Tboil	521.64	K	Relay (... Calculated Property
Tc	754.89	K	Relay (... Calculated Property
Tfus	290.13	K	Relay (... Calculated Property
Vc	0.672	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.50; 628.19]	J/mol×K	[570.84; 813.30]
Cp,gas	502.50	J/mol×K	570.84	Joback Calculated Property
Cp,gas	526.37	J/mol×K	611.25	Joback Calculated Property
Cp,gas	548.42	J/mol×K	651.66	Joback Calculated Property
Cp,gas	569.13	J/mol×K	692.07	Joback Calculated Property
Cp,gas	589.00	J/mol×K	732.48	Joback Calculated Property
Cp,gas	608.52	J/mol×K	772.89	Joback Calculated Property
Cp,gas	628.19	J/mol×K	813.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7-trimethyl-, [3aR-(3a«alpha»,7«alpha»,9a«beta»)]-.

Sources

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

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