Chemical Properties of Propyl n-butyl disulfide (CAS 72437-64-0)

InChI

InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3

InChI Key

VITWKRWSBFUVDT-UHFFFAOYSA-N

Formula

C7H16S2

SMILES

CCCCSSCCC

Molecular Weight¹

164.33

CAS

72437-64-0

Other Names

• 4,5-Dithianonane
• Butyl propyl disulfide
• Disulfide, butyl propyl
• n-Propyl n-butyl disulphide
• propyl butyl disulfide

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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°	74.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.07	kJ/mol	Joback Calculated Property
ΔfusH°	22.15	kJ/mol	Joback Calculated Property
ΔvapH°	44.81	kJ/mol	Joback Calculated Property
log10WS	-3.51		Crippen Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	142.190	ml/mol	McGowan Calculated Property
Pc	2902.98	kPa	Joback Calculated Property
Inp	[1207.00; 1212.00]
Inp	1207.00		NIST
Inp	1212.00		NIST
Inp	1207.00		NIST
Inp	1212.00		NIST
I	[1493.00; 1540.00]
I	1515.00		NIST
I	1493.00		NIST
I	1540.00		NIST
I	1493.00		NIST
I	1540.00		NIST
Tboil	497.12	K	Joback Calculated Property
Tc	706.23	K	Joback Calculated Property
Tfus	237.45	K	Joback Calculated Property
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.36; 368.15]	J/mol×K	[497.12; 706.23]
Cp,gas	296.36	J/mol×K	497.12	Joback Calculated Property
Cp,gas	309.83	J/mol×K	531.97	Joback Calculated Property
Cp,gas	322.69	J/mol×K	566.82	Joback Calculated Property
Cp,gas	334.95	J/mol×K	601.67	Joback Calculated Property
Cp,gas	346.61	J/mol×K	636.52	Joback Calculated Property
Cp,gas	357.67	J/mol×K	671.38	Joback Calculated Property
Cp,gas	368.15	J/mol×K	706.23	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[364.52; 514.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49587e+01
Coefficient B			-4.22036e+03
Coefficient C			-7.68560e+01
Temperature range, min.			364.52
Temperature range, max.			514.32
Pvap	1.33	kPa	364.52	Calculated Property
Pvap	2.97	kPa	381.16	Calculated Property
Pvap	6.11	kPa	397.81	Calculated Property
Pvap	11.68	kPa	414.45	Calculated Property
Pvap	21.01	kPa	431.10	Calculated Property
Pvap	35.86	kPa	447.74	Calculated Property
Pvap	58.46	kPa	464.39	Calculated Property
Pvap	91.54	kPa	481.03	Calculated Property
Pvap	138.35	kPa	497.68	Calculated Property
Pvap	202.63	kPa	514.32	Calculated Property

Similar Compounds

Find more compounds similar to Propyl n-butyl disulfide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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