Chemical Properties of Spiro[furan-3(2H),2'-[2H]inden]-2-one, decahydro-3'a,4'-dimethyl-4-methylene-, [2'R-(2'«alpha»,3'a«alpha»,4'«alpha»,7'a«alpha»)]- (CAS 19906-72-0)

InChI

InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3

InChI Key

OVXAYHNZXBOVPV-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

C=C1COC(=O)C12CC1CCCC(C)C1(C)C2

Molecular Weight¹

234.33

CAS

19906-72-0

Other Names

• Spiro[furan-3(2H),2'-indan]-2-one, 3'a,4,4',5,5',6',7',7'a«beta»-octahydro-3'a«beta»,4'«beta»-dimethyl-4-methylene-, (2'R)-
• Bakkenolid A
• Bakkenolide A
• Fukinanolid
• Fukinanolide

• 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 : 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	0.3707		Relay (... Calculated Property
ΔfG°	34.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-385.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.42	kJ/mol	Joback Calculated Property
ΔvapH°	77.19	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-4.05		Relay (... Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2342.82	kPa	Joback Calculated Property
I	[2549.00; 2549.00]
I	2549.00		NIST
I	2549.00		NIST
Tboil	602.99	K	Relay (... Calculated Property
Tc	830.10	K	Relay (... Calculated Property
Tfus	408.12	K	Relay (... Calculated Property
Vc	0.665	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.10; 705.62]	J/mol×K	[669.64; 919.61]
Cp,gas	579.10	J/mol×K	669.64	Joback Calculated Property
Cp,gas	601.69	J/mol×K	711.30	Joback Calculated Property
Cp,gas	623.23	J/mol×K	752.96	Joback Calculated Property
Cp,gas	644.06	J/mol×K	794.62	Joback Calculated Property
Cp,gas	664.52	J/mol×K	836.28	Joback Calculated Property
Cp,gas	684.93	J/mol×K	877.95	Joback Calculated Property
Cp,gas	705.62	J/mol×K	919.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiro[furan-3(2H),2'-[2H]inden]-2-one, decahydro-3'a,4'-dimethyl-4-methylene-, [2'R-(2'«alpha»,3'a«alpha»,4'«alpha»,7'a«alpha»)]-.

Sources

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

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