Chemical Properties of 1H-Cyclopenta[b]pyridino-3-carbonitrile, 4,5,6,7-tetrahydro-2-methylthio-4-spirocyclohexane

InChI

InChI=1S/C15H20N2S/c1-18-14-12(10-16)15(8-3-2-4-9-15)11-6-5-7-13(11)17-14/h7,11,17H,2-6,8-9H2,1H3

InChI Key

OWAKKTNHORDRSL-UHFFFAOYSA-N

Formula

C15H20N2S

SMILES

CSC1=C(C#N)C2(CCCCC2)C2CCC=C2N1

Molecular Weight¹

260.40

• 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).
• 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
ΔfG°	484.43	kJ/mol	Joback Calculated Property
ΔfH°gas	195.96	kJ/mol	Joback Calculated Property
ΔfusH°	27.64	kJ/mol	Joback Calculated Property
ΔvapH°	75.36	kJ/mol	Joback Calculated Property
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	3.932		Crippen Calculated Property
McVol	208.740	ml/mol	McGowan Calculated Property
Pc	2448.32	kPa	Joback Calculated Property
Inp	[1337.00; 1337.00]
Inp	1337.00		NIST
Inp	1337.00		NIST
Tboil	821.75	K	Joback Calculated Property
Tc	1094.11	K	Joback Calculated Property
Tfus	566.67	K	Joback Calculated Property
Vc	0.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.29; 743.54]	J/mol×K	[821.75; 1094.11]
Cp,gas	632.29	J/mol×K	821.75	Joback Calculated Property
Cp,gas	651.18	J/mol×K	867.14	Joback Calculated Property
Cp,gas	669.56	J/mol×K	912.54	Joback Calculated Property
Cp,gas	687.69	J/mol×K	957.93	Joback Calculated Property
Cp,gas	705.88	J/mol×K	1003.33	Joback Calculated Property
Cp,gas	724.40	J/mol×K	1048.72	Joback Calculated Property
Cp,gas	743.54	J/mol×K	1094.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Cyclopenta[b]pyridino-3-carbonitrile, 4,5,6,7-tetrahydro-2-methylthio-4-spirocyclohexane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.