Chemical Properties of 2H-Cycloprop[c]indene-2,3(3ah)-dione, hexahydro-3a,7,7-trimethyl- (CAS 96678-99-8)

InChI

InChI=1S/C13H18O2/c1-11(2)5-4-6-12(3)10(15)9(14)8-7-13(8,11)12/h8H,4-7H2,1-3H3

InChI Key

PHZJSNXIYHJVLI-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CC1(C)CCCC2(C)C(=O)C(=O)C3CC312

Molecular Weight¹

206.28

CAS

96678-99-8

Other Names

• 1H-Cycloprop[c]indene-2,3(1aH,3aH)-dione, tetrahydro-3a,7,7-trimethyl-

• 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	0.3986		Relay (... Calculated Property
ΔfG°	-40.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-252.55	kJ/mol	Relay (... Calculated Property
ΔfusH°	2.93	kJ/mol	Joback Calculated Property
ΔvapH°	71.20	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-2.88		Relay (... Calculated Property
logPoct/wat	2.361		Crippen Calculated Property
McVol	164.590	ml/mol	McGowan Calculated Property
Pc	2832.35	kPa	Joback Calculated Property
Inp	[1562.80; 1562.80]
Inp	1562.80		NIST
Inp	1562.80		NIST
Tboil	515.16	K	Relay (... Calculated Property
Tc	806.39	K	Relay (... Calculated Property
Tfus	467.42	K	Relay (... Calculated Property
Vc	0.563	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.92; 607.18]	J/mol×K	[653.02; 912.93]
Cp,gas	486.92	J/mol×K	653.02	Joback Calculated Property
Cp,gas	506.72	J/mol×K	696.34	Joback Calculated Property
Cp,gas	525.93	J/mol×K	739.66	Joback Calculated Property
Cp,gas	545.07	J/mol×K	782.98	Joback Calculated Property
Cp,gas	564.65	J/mol×K	826.29	Joback Calculated Property
Cp,gas	585.18	J/mol×K	869.61	Joback Calculated Property
Cp,gas	607.18	J/mol×K	912.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Cycloprop[c]indene-2,3(3ah)-dione, hexahydro-3a,7,7-trimethyl-.

Sources

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

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