Chemical Properties of Dispiro[cyclopropane-1,2'-bicyclo[2.2.2]octane-3',1''-cyclopropane (CAS 40827-30-3)

InChI

InChI=1S/C12H18/c1-2-10-4-3-9(1)11(5-6-11)12(10)7-8-12/h9-10H,1-8H2

InChI Key

OBJLCEPMWWZOLB-UHFFFAOYSA-N

Formula

C12H18

SMILES

C1CC2CCC1C1(CC1)C21CC1

Molecular Weight¹

162.27

CAS

40827-30-3

Other Names

• Dispiro[cyclopropane-1,2'-bicyclo[2.2.2]octane-3',1"-cyclopropane]

• 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).
• 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
ΔfG°	282.18	kJ/mol	Joback Calculated Property
ΔfH°gas	30.67	kJ/mol	Joback Calculated Property
ΔfusH°	6.78	kJ/mol	Joback Calculated Property
ΔvapH°	39.66	kJ/mol	Joback Calculated Property
IE	[8.30; 8.67]	eV
IE	8.30	eV	NIST
IE	8.67	eV	NIST
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	136.500	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Tboil	501.40	K	Joback Calculated Property
Tc	737.21	K	Joback Calculated Property
Tfus	344.56	K	Joback Calculated Property
Vc	0.531	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.32; 460.82]	J/mol×K	[501.40; 737.21]
Cp,gas	354.32	J/mol×K	501.40	Joback Calculated Property
Cp,gas	376.50	J/mol×K	540.70	Joback Calculated Property
Cp,gas	396.36	J/mol×K	580.00	Joback Calculated Property
Cp,gas	414.31	J/mol×K	619.31	Joback Calculated Property
Cp,gas	430.77	J/mol×K	658.61	Joback Calculated Property
Cp,gas	446.13	J/mol×K	697.91	Joback Calculated Property
Cp,gas	460.82	J/mol×K	737.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dispiro[cyclopropane-1,2'-bicyclo[2.2.2]octane-3',1''-cyclopropane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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