Chemical Properties of Italicene epoxide (CAS 104188-24-1)

InChI

InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-12-14(4,16-12)7-8-15(9,10)11/h9-12H,5-8H2,1-4H3

InChI Key

MSWITNNAHMCECB-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C3C4OC4(C)CCC123

Molecular Weight¹

220.35

CAS

104188-24-1

Other Names

• (1aR,1bS,2aS,5S,5aS,7aS)-2,2,5,7a-Tetramethyldecahydrocyclopenta[2',3']cyclobuta[1',2':3,4]benzo[1,2-b]oxirene

• 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	0.3861		Relay (1.0) Calculated Property
ΔfG°	192.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-140.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
ΔvapH°	68.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	3.626		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1548.00; 1558.00]
Inp	1558.00		NIST
Inp	1549.00		NIST
Inp	1548.00		NIST
Inp	1549.00		NIST
Inp	1549.00		NIST
Tboil	525.11	K	Relay (1.0) Calculated Property
Tc	800.68	K	Relay (1.0) Calculated Property
Tfus	324.32	K	Relay (1.0) Calculated Property
Vc	0.704	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.98; 661.33]	J/mol×K	[583.22; 812.69]
Cp,gas	540.98	J/mol×K	583.22	Joback Calculated Property
Cp,gas	563.50	J/mol×K	621.46	Joback Calculated Property
Cp,gas	584.43	J/mol×K	659.71	Joback Calculated Property
Cp,gas	604.21	J/mol×K	697.95	Joback Calculated Property
Cp,gas	623.32	J/mol×K	736.20	Joback Calculated Property
Cp,gas	642.20	J/mol×K	774.44	Joback Calculated Property
Cp,gas	661.33	J/mol×K	812.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Italicene epoxide.

Sources

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

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