Chemical Properties of Butane, 2,2'-thiobis- (CAS 626-26-6)

InChI

InChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

InChI Key

IEBAOPMEYUWQPD-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CCC(C)SC(C)CC

Molecular Weight¹

146.29

CAS

626-26-6

Other Names

• 3,5-Dimethyl-4-thiaheptane
• Di-(2-butyl)sulfide
• Di-sec-Butyl thioether
• Di-sec-butyl sulfide
• di-sec-butyl sulphide
• sec-Butyl 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.3400		Relay (1.0) Calculated Property
ΔfG°	44.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
ΔvapH°	[43.80; 49.30]	kJ/mol
ΔvapH°	47.00	kJ/mol	NIST
ΔvapH°	43.80	kJ/mol	NIST
ΔvapH°	43.80 ± 0.10	kJ/mol	NIST
ΔvapH°	49.30 ± 0.80	kJ/mol	NIST
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	3.317		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2621.78	kPa	Joback Calculated Property
Inp	[983.00; 983.00]
Inp	983.00		NIST
Inp	983.00		NIST
Inp	983.00		NIST
Tboil	438.20	K	NIST
Tc	620.52	K	Relay (1.0) Calculated Property
Tfus	187.29	K	Relay (1.0) Calculated Property
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.22; 366.25]	J/mol×K	[450.54; 644.78]
Cp,gas	287.22	J/mol×K	450.54	Joback Calculated Property
Cp,gas	301.91	J/mol×K	482.91	Joback Calculated Property
Cp,gas	315.98	J/mol×K	515.29	Joback Calculated Property
Cp,gas	329.44	J/mol×K	547.66	Joback Calculated Property
Cp,gas	342.29	J/mol×K	580.04	Joback Calculated Property
Cp,gas	354.56	J/mol×K	612.41	Joback Calculated Property
Cp,gas	366.25	J/mol×K	644.78	Joback Calculated Property
ΔvapH	[41.40; 46.40]	kJ/mol	[293.00; 430.00]
ΔvapH	44.80	kJ/mol	293.00	NIST
ΔvapH	44.90	kJ/mol	296.50	NIST
ΔvapH	42.30	kJ/mol	337.50	NIST
ΔvapH	42.40	kJ/mol	372.00	NIST
ΔvapH	41.40	kJ/mol	399.50	NIST
ΔvapH	46.40	kJ/mol	430.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[326.52; 465.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48389e+01
Coefficient B			-3.83519e+03
Coefficient C			-6.29560e+01
Temperature range, min.			326.52
Temperature range, max.			465.50
Pvap	1.33	kPa	326.52	Calculated Property
Pvap	2.98	kPa	341.96	Calculated Property
Pvap	6.13	kPa	357.40	Calculated Property
Pvap	11.74	kPa	372.85	Calculated Property
Pvap	21.12	kPa	388.29	Calculated Property
Pvap	36.04	kPa	403.73	Calculated Property
Pvap	58.70	kPa	419.17	Calculated Property
Pvap	91.81	kPa	434.62	Calculated Property
Pvap	138.58	kPa	450.06	Calculated Property
Pvap	202.65	kPa	465.50	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2,2'-thiobis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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