Chemical Properties of (-)-«alpha»-Panasinsen (CAS 56633-28-4)

InChI

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

InChI Key

WHXUZXDWQKUIJL-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CCCC2(C)CCC3C(C)(C)CC132

Molecular Weight¹

204.35

CAS

56633-28-4

Other Names

• (2aR,4aS,8aR)-2,2,4a,8-Tetramethyl-1,2,2a,3,4,4a,5,6-octahydrocyclobuta[c]indene
• «alpha»-Panasinsene
• (-)-«alpha»-Panasinsene
• «alpha»-Panasinsanene
• Panasinsene, «alpha»-

• 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	0.3160		Relay (... Calculated Property
ΔfG°	229.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-13.38	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.82	kJ/mol	Joback Calculated Property
ΔvapH°	61.86	kJ/mol	Relay (... Calculated Property
IE	7.99	eV	Relay (... Calculated Property
log10WS	-5.26		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	[1518.00; 1577.00]
Inp	1527.10		NIST
Inp	1519.00		NIST
Inp	1518.00		NIST
Inp	1534.00		NIST
Inp	1577.00		NIST
Tboil	521.66	K	Relay (... Calculated Property
Tc	761.28	K	Relay (... Calculated Property
Tfus	327.98	K	Relay (... Calculated Property
Vc	0.651	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 (-)-«alpha»-Panasinsen.

Sources

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

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