Chemical Properties of 3a,7-Methano-3aH-cyclopentacyclooctene, decahydro-1,1,7-trimethyl-, [3aS-(3a«alpha»,7«alpha»,9a«beta»)]- (CAS 469-91-0)

InChI

InChI=1S/C15H26/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h12H,4-11H2,1-3H3

InChI Key

RKEKUXDRGCRXMQ-UHFFFAOYSA-N

Formula

C15H26

SMILES

CC12CCCC3(CCC(C)(C)C3CC1)C2

Molecular Weight¹

206.37

CAS

469-91-0

Other Names

• 3a,7-Methano-3aH-cyclopentacyclooctene, decahydro-1,1,7-trimethyl-, stereoisomer
• Clovan
• Clovane

• 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	0.3551		Relay (... Calculated Property
ΔfG°	197.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-150.86	kJ/mol	Relay (... Calculated Property
ΔfusH°	4.89	kJ/mol	Joback Calculated Property
ΔvapH°	60.32	kJ/mol	Relay (... Calculated Property
IE	8.73	eV	Relay (... Calculated Property
log10WS	-5.72		Relay (... Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan Calculated Property
Pc	2287.14	kPa	Joback Calculated Property
Inp	[1498.00; 1525.00]
Inp	1498.00		NIST
Inp	1498.00		NIST
Inp	1525.00		NIST
I	[1621.00; 1657.00]
I	1621.00		NIST
I	1621.00		NIST
I	1657.00		NIST
Tboil	533.30	K	Relay (... Calculated Property
Tc	770.05	K	Relay (... Calculated Property
Tfus	318.51	K	Relay (... Calculated Property
Vc	0.691	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.31; 654.45]	J/mol×K	[571.68; 811.68]
Cp,gas	522.31	J/mol×K	571.68	Joback Calculated Property
Cp,gas	547.37	J/mol×K	611.68	Joback Calculated Property
Cp,gas	570.58	J/mol×K	651.68	Joback Calculated Property
Cp,gas	592.42	J/mol×K	691.68	Joback Calculated Property
Cp,gas	613.35	J/mol×K	731.68	Joback Calculated Property
Cp,gas	633.87	J/mol×K	771.68	Joback Calculated Property
Cp,gas	654.45	J/mol×K	811.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3a,7-Methano-3aH-cyclopentacyclooctene, decahydro-1,1,7-trimethyl-, [3aS-(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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