Chemical Properties of Dispiro{cyclopropane-6,1'-pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]-dodecane-12,1"-cyclopropane} (CAS 86301-94-2)

InChI

InChI=1S/C16H20/c1-2-15(1)10-6-9(10)11-12-7-5-8(7)13(14(11)15)16(12)3-4-16/h7-14H,1-6H2

InChI Key

IKKIJQHYEJHDIU-UHFFFAOYSA-N

Formula

C16H20

SMILES

C1C2C1C1C3C(C4CC4C34CC4)C2C12CC2

Molecular Weight¹

212.33

CAS

86301-94-2

Other Names

• Dispiro{cyclopropane-6,1'-pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]-dodecane-12,1"-cyclopropane}

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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	0.4021		Relay (1.0) Calculated Property
ΔcH°liquid	-9471.00 ± 4.20	kJ/mol	NIST
ΔfG°	535.48	kJ/mol	Joback Calculated Property
ΔfH°gas	384.30 ± 4.20	kJ/mol	NIST
ΔfH°liquid	316.50 ± 4.20	kJ/mol	NIST
ΔfusH°	25.26	kJ/mol	Joback Calculated Property
ΔvapH°	[67.80; 67.80]	kJ/mol
ΔvapH°	67.80 ± 0.50	kJ/mol	NIST
ΔvapH°	67.80	kJ/mol	NIST
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	3.325		Crippen Calculated Property
McVol	160.280	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Tboil	523.20	K	Relay (1.0) Calculated Property
Tc	855.32	K	Relay (1.0) Calculated Property
Tfus	443.51	K	Relay (1.0) Calculated Property
Vc	0.728	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.29; 622.69]	J/mol×K	[577.78; 806.24]
Cp,gas	511.29	J/mol×K	577.78	Joback Calculated Property
Cp,gas	533.11	J/mol×K	615.86	Joback Calculated Property
Cp,gas	552.95	J/mol×K	653.93	Joback Calculated Property
Cp,gas	571.32	J/mol×K	692.01	Joback Calculated Property
Cp,gas	588.73	J/mol×K	730.09	Joback Calculated Property
Cp,gas	605.68	J/mol×K	768.16	Joback Calculated Property
Cp,gas	622.69	J/mol×K	806.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dispiro{cyclopropane-6,1'-pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]-dodecane-12,1"-cyclopropane}.

Sources

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

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