Chemical Properties of Butane, 1-(ethenylthio)- (CAS 4789-70-2)

InChI

InChI=1S/C6H12S/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3

InChI Key

LBMGSGLAWRZARD-UHFFFAOYSA-N

Formula

C6H12S

SMILES

C=CSCCCC

Molecular Weight¹

116.22

CAS

4789-70-2

Other Names

• 3-Thia-1-heptene
• Butyl vinyl sulfide

• 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	0.2622		Relay (1.0) Calculated Property
ΔfG°	120.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.15	kJ/mol	Joback Calculated Property
ΔvapH°	43.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.15 ± 0.01	eV	NIST
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	2.663		Crippen Calculated Property
McVol	107.450	ml/mol	McGowan Calculated Property
Pc	3322.01	kPa	Joback Calculated Property
Inp	[847.00; 893.00]
Inp	893.00		NIST
Inp	893.00		NIST
Inp	893.00		NIST
Inp	847.00		NIST
Inp	847.00		NIST
Tboil	413.46	K	Relay (1.0) Calculated Property
Tc	588.47	K	Relay (1.0) Calculated Property
Tfus	174.00	K	Relay (1.0) Calculated Property
Vc	0.388	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.46; 326.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.40430e+01
Coefficient B			5.48210e-01
Coefficient C			-2.85300e-04
Coefficient D			5.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.46	J/mol×K	273.00	Calculated Property
Cp,gas	174.49	J/mol×K	353.78	Calculated Property
Cp,gas	202.50	J/mol×K	434.56	Calculated Property
Cp,gas	227.63	J/mol×K	515.33	Calculated Property
Cp,gas	250.05	J/mol×K	596.11	Calculated Property
Cp,gas	269.91	J/mol×K	676.89	Calculated Property
Cp,gas	287.37	J/mol×K	757.67	Calculated Property
Cp,gas	302.59	J/mol×K	838.44	Calculated Property
Cp,gas	315.74	J/mol×K	919.22	Calculated Property
Cp,gas	326.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-(ethenylthio)-.

Sources

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

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