Chemical Properties of Pentane, 1,1'-thiobis- (CAS 872-10-6)

InChI

InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

InChI Key

JOZDADPMWLVEJK-UHFFFAOYSA-N

Formula

C10H22S

SMILES

CCCCCSCCCCC

Molecular Weight¹

174.35

CAS

872-10-6

Other Names

• 1,1'-Thiobispentane
• 6-THIAUNDECANE
• AMYL SULFIDE
• Di-n-pentyl sulfide
• Diamyl sulfide
• Diamyl sulphide
• Dipentyl sulfide
• Dipentyl sulphide
• Pentyl sulfide
• di-n-Amyl sulfide
• n-Amyl sulfide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	[-7429.50; -7415.00]	kJ/mol
ΔcH°liquid	-7415.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-7429.50	kJ/mol	NIST
ΔfG°	66.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-205.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-267.00 ± 2.00	kJ/mol	NIST
ΔfusH°	25.79	kJ/mol	Joback Calculated Property
ΔvapH°	[62.00; 62.00]	kJ/mol
ΔvapH°	62.00 ± 2.00	kJ/mol	NIST
ΔvapH°	62.00	kJ/mol	NIST
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	4.100		Crippen Calculated Property
McVol	168.110	ml/mol	McGowan Calculated Property
Pc	2141.36	kPa	Joback Calculated Property
Inp	[1266.00; 1303.00]
Inp	1276.00		NIST
Inp	1266.00		NIST
Inp	Outlier 1303.00		NIST
Inp	1276.00		NIST
Inp	1277.00		NIST
Inp	1277.00		NIST
Inp	1276.00		NIST
Inp	1268.00		NIST
I	[1456.30; 1483.00]
I	1461.70		NIST
I	1456.30		NIST
I	1483.00		NIST
Tboil	496.98	K	Joback Calculated Property
Tc	678.93	K	Joback Calculated Property
Tfus	236.86	K	Joback Calculated Property
Vc	0.649	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.94; 461.02]	J/mol×K	[496.98; 678.93]
Cp,gas	375.94	J/mol×K	496.98	Joback Calculated Property
Cp,gas	391.70	J/mol×K	527.30	Joback Calculated Property
Cp,gas	406.81	J/mol×K	557.63	Joback Calculated Property
Cp,gas	421.28	J/mol×K	587.95	Joback Calculated Property
Cp,gas	435.13	J/mol×K	618.28	Joback Calculated Property
Cp,gas	448.38	J/mol×K	648.60	Joback Calculated Property
Cp,gas	461.02	J/mol×K	678.93	Joback Calculated Property
ΔvapH	[57.50; 58.70]	kJ/mol	[356.00; 356.00]
ΔvapH	58.70	kJ/mol	356.00	NIST
ΔvapH	57.50	kJ/mol	356.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[378.03; 514.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62665e+01
Coefficient B			-4.74856e+03
Coefficient C			-8.08560e+01
Temperature range, min.			378.03
Temperature range, max.			514.31
Pvap	1.33	kPa	378.03	Calculated Property
Pvap	2.89	kPa	393.17	Calculated Property
Pvap	5.84	kPa	408.31	Calculated Property
Pvap	11.09	kPa	423.46	Calculated Property
Pvap	19.94	kPa	438.60	Calculated Property
Pvap	34.19	kPa	453.74	Calculated Property
Pvap	56.20	kPa	468.88	Calculated Property
Pvap	88.99	kPa	484.03	Calculated Property
Pvap	136.30	kPa	499.17	Calculated Property
Pvap	202.63	kPa	514.31	Calculated Property
Pvap	[0.26; 208.47]	kPa	[346.15; 560.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.93990e+02
Coefficient B			-4.80618e+04
Coefficient C			-1.31159e+02
Coefficient D			8.65313e-05
Temperature range, min.			346.15
Temperature range, max.			560.15
Pvap	0.26	kPa	346.15	Calculated Property
Pvap	1.39	kPa	369.93	Calculated Property
Pvap	4.83	kPa	393.71	Calculated Property
Pvap	12.25	kPa	417.48	Calculated Property
Pvap	24.79	kPa	441.26	Calculated Property
Pvap	42.97	kPa	465.04	Calculated Property
Pvap	67.35	kPa	488.82	Calculated Property
Pvap	99.64	kPa	512.59	Calculated Property
Pvap	143.91	kPa	536.37	Calculated Property
Pvap	208.47	kPa	560.15	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1,1'-thiobis-.

Sources

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

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