Chemical Properties of Butyl sulfide (CAS 544-40-1)

InChI

InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

InChI Key

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CCCCSCCCC

Molecular Weight¹

146.29

CAS

544-40-1

Other Names

• (n-C4H9)2S
• 1,1'-THIOBISBUTANE
• 5-THIANONANE
• BUTYLTHIOBUTANE
• Butane, 1,1'-thiobis-
• Butyl monosulfide
• Di-n-butyl sulfide
• Dibutyl sulfide
• Dibutyl sulphide
• Dibutyl thioether
• NSC 8460
• Sulfide, n-butyl-
• Thianonane-5
• Thiononane-5
• n-Butyl sulfide
• n-Dibutyl sulfide

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	871.80	kJ/mol	NIST
BasG	842.10	kJ/mol	NIST
ΔcH°liquid	[-6102.03; -6102.00]	kJ/mol
ΔcH°liquid	-6102.03	kJ/mol	NIST
ΔcH°liquid	-6102.00 ± 1.30	kJ/mol	NIST
ΔfG°	49.60	kJ/mol	Joback Calculated Property
ΔfH°gas	[-167.40; -167.20]	kJ/mol
ΔfH°gas	-167.40	kJ/mol	NIST
ΔfH°gas	-167.20	kJ/mol	NIST
ΔfH°liquid	[-220.70; -220.50]	kJ/mol
ΔfH°liquid	-220.70 ± 1.90	kJ/mol	NIST
ΔfH°liquid	-220.50 ± 1.50	kJ/mol	NIST
ΔfusH°	20.61	kJ/mol	Joback Calculated Property
ΔvapH°	[40.30; 54.20]	kJ/mol
ΔvapH°	52.96	kJ/mol	NIST
ΔvapH°	40.30	kJ/mol	NIST
ΔvapH°	53.00	kJ/mol	NIST
ΔvapH°	54.20 ± 0.80	kJ/mol	NIST
ΔvapH°	53.35	kJ/mol	NIST
IE	[8.20; 8.40]	eV
IE	8.20	eV	NIST
IE	8.40 ± 0.05	eV	NIST
IE	8.22	eV	NIST
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.320		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2579.34	kPa	Joback Calculated Property
Inp	[1050.00; 1092.00]
Inp	1084.40		NIST
Inp	1088.50		NIST
Inp	1078.10		NIST
Inp	1081.30		NIST
Inp	1081.00		NIST
Inp	1059.00		NIST
Inp	1077.00		NIST
Inp	1081.00		NIST
Inp	1082.00		NIST
Inp	1084.00		NIST
Inp	1070.00		NIST
Inp	1064.00		NIST
Inp	1070.00		NIST
Inp	1064.00		NIST
Inp	1084.00		NIST
Inp	1077.00		NIST
Inp	1081.00		NIST
Inp	1081.00		NIST
Inp	1082.00		NIST
Inp	1086.00		NIST
Inp	1092.00		NIST
Inp	1060.00		NIST
Inp	1062.00		NIST
Inp	1056.00		NIST
Inp	1057.00		NIST
Inp	1058.00		NIST
Inp	1053.00		NIST
Inp	1056.00		NIST
Inp	1060.00		NIST
Inp	1055.00		NIST
Inp	1057.00		NIST
Inp	1079.00		NIST
Inp	1072.00		NIST
Inp	1075.00		NIST
Inp	1060.00		NIST
Inp	1055.00		NIST
Inp	1057.00		NIST
Inp	1066.00		NIST
Inp	1060.00		NIST
Inp	1062.00		NIST
Inp	1056.00		NIST
Inp	1050.00		NIST
Inp	1053.00		NIST
Inp	1061.00		NIST
Inp	1056.00		NIST
Inp	1058.00		NIST
Inp	1057.00		NIST
Inp	1084.00		NIST
Inp	1088.00		NIST
Inp	1078.00		NIST
Inp	1081.00		NIST
Inp	1073.00		NIST
Inp	1082.00		NIST
Inp	1073.00		NIST
Inp	1057.00		NIST
Inp	1073.00		NIST
Inp	1084.40		NIST
Inp	1059.00		NIST
Inp	1070.00		NIST
Inp	1077.00		NIST
Inp	1092.00		NIST
Inp	1058.00		NIST
Inp	1057.00		NIST
Inp	1055.00		NIST
Inp	1056.00		NIST
I	[1254.00; 1289.00]
I	1270.60		NIST
I	1256.60		NIST
I	1286.00		NIST
I	1289.00		NIST
I	1262.00		NIST
I	1270.00		NIST
I	1254.00		NIST
I	1270.00		NIST
I	1256.00		NIST
I	1270.00		NIST
S°liquid	405.09	J/mol×K	NIST
Tboil	[458.20; 461.95]	K
Tboil	461.70	K	NIST
Tboil	461.95 ± 0.30	K	NIST
Tboil	458.20 ± 0.60	K	NIST
Tc	636.81	K	Joback Calculated Property
Tfus	[198.12; 221.85]	K
Tfus	221.85	K	KDB
Tfus	198.12 ± 0.02	K	NIST
Ttriple	[198.13; 198.13]	K
Ttriple	198.13 ± 0.04	K	NIST
Ttriple	198.13 ± 0.03	K	NIST
Vc	0.537	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[286.95; 362.10]	J/mol×K	[451.22; 636.81]
Cp,gas	286.95	J/mol×K	451.22	Joback Calculated Property
Cp,gas	300.83	J/mol×K	482.15	Joback Calculated Property
Cp,gas	314.15	J/mol×K	513.08	Joback Calculated Property
Cp,gas	326.93	J/mol×K	544.01	Joback Calculated Property
Cp,gas	339.17	J/mol×K	574.95	Joback Calculated Property
Cp,gas	350.89	J/mol×K	605.88	Joback Calculated Property
Cp,gas	362.10	J/mol×K	636.81	Joback Calculated Property
Cp,liquid	284.34	J/mol×K	298.15	NIST
ΔfusH	[19.41; 19.43]	kJ/mol	[198.10; 198.13]
ΔfusH	19.41	kJ/mol	198.10	NIST
ΔfusH	19.41	kJ/mol	198.10	NIST
ΔfusH	19.43	kJ/mol	198.13	NIST
ΔvapH	[44.80; 46.50]	kJ/mol	[338.50; 430.00]
ΔvapH	44.80	kJ/mol	338.50	NIST
ΔvapH	46.50	kJ/mol	430.00	NIST
ΔfusS	98.05	J/mol×K	198.13	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[340.12; 492.01]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43227e+01
Coefficient B			-3.82370e+03
Coefficient C			-6.76820e+01
Temperature range, min.			340.12
Temperature range, max.			492.01
Pvap	1.33	kPa	340.12	Calculated Property
Pvap	3.02	kPa	357.00	Calculated Property
Pvap	6.26	kPa	373.87	Calculated Property
Pvap	12.03	kPa	390.75	Calculated Property
Pvap	21.64	kPa	407.63	Calculated Property
Pvap	36.84	kPa	424.50	Calculated Property
Pvap	59.78	kPa	441.38	Calculated Property
Pvap	93.02	kPa	458.26	Calculated Property
Pvap	139.53	kPa	475.13	Calculated Property
Pvap	202.66	kPa	492.01	Calculated Property
Pvap	[0.12; 2648.39]	kPa	[303.15; 650.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.52296e+02
Coefficient B			-1.67842e+04
Coefficient C			-3.51983e+01
Coefficient D			2.22154e-05
Temperature range, min.			303.15
Temperature range, max.			650.00
Pvap	0.12	kPa	303.15	Calculated Property
Pvap	1.53	kPa	341.69	Calculated Property
Pvap	9.59	kPa	380.23	Calculated Property
Pvap	36.91	kPa	418.77	Calculated Property
Pvap	103.29	kPa	457.31	Calculated Property
Pvap	234.69	kPa	495.84	Calculated Property
Pvap	467.25	kPa	534.38	Calculated Property
Pvap	859.69	kPa	572.92	Calculated Property
Pvap	1518.64	kPa	611.46	Calculated Property
Pvap	2648.39	kPa	650.00	Calculated Property

Similar Compounds

Find more compounds similar to Butyl sulfide.

Mixtures

• Butyl sulfide + Octane + Thiophene, tetrahydro-, 1,1-dioxide

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibria of Ternary Systems Sulfide + Octane + Solvents at Different Temperatures
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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