Chemical Properties of 3-methyl-4-thianonane

InChI

InChI=1S/C9H20S/c1-4-6-7-8-10-9(3)5-2/h9H,4-8H2,1-3H3

InChI Key

VKQVRBILRUNEDJ-UHFFFAOYSA-N

Formula

C9H20S

SMILES

CCCCCSC(C)CC

Molecular Weight¹

160.32

• 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	0.4065		Relay (1.0) Calculated Property
ΔfG°	55.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.67	kJ/mol	Joback Calculated Property
ΔvapH°	52.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-3.83		Relay (1.0) Calculated Property
logPoct/wat	3.708		Crippen Calculated Property
McVol	154.020	ml/mol	McGowan Calculated Property
Pc	2363.37	kPa	Joback Calculated Property
Inp	[1131.00; 1131.00]
Inp	1131.00		NIST
Inp	1131.00		NIST
Inp	1131.00		NIST
Tboil	462.90	K	Relay (1.0) Calculated Property
Tc	648.11	K	Relay (1.0) Calculated Property
Tfus	193.84	K	Relay (1.0) Calculated Property
Vc	0.562	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.57; 412.93]	J/mol×K	[473.66; 661.48]
Cp,gas	330.57	J/mol×K	473.66	Joback Calculated Property
Cp,gas	345.86	J/mol×K	504.96	Joback Calculated Property
Cp,gas	360.50	J/mol×K	536.27	Joback Calculated Property
Cp,gas	374.52	J/mol×K	567.57	Joback Calculated Property
Cp,gas	387.92	J/mol×K	598.87	Joback Calculated Property
Cp,gas	400.72	J/mol×K	630.17	Joback Calculated Property
Cp,gas	412.93	J/mol×K	661.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-methyl-4-thianonane.

Sources

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

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