Chemical Properties of 5-Thiaundecane (CAS 16967-04-7)

InChI

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

InChI Key

YZUHMAFUXBPUKH-UHFFFAOYSA-N

Formula

C10H22S

SMILES

CCCCCCSCCCC

Molecular Weight¹

174.35

CAS

16967-04-7

Other Names

• butyl hexyl sulfide
• hexyl butyl sulfide

• 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°	66.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-207.86	kJ/mol	Joback Calculated Property
ΔfusH°	25.79	kJ/mol	Joback Calculated Property
ΔvapH°	44.67	kJ/mol	Joback Calculated Property
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	[1278.00; 1278.00]
Inp	1278.00		NIST
Inp	1278.00		NIST
I	[1457.80; 1485.00]
I	1463.80		NIST
I	1457.80		NIST
I	1485.00		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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[378.83; 514.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63721e+01
Coefficient B			-4.78833e+03
Coefficient C			-8.11340e+01
Temperature range, min.			378.83
Temperature range, max.			514.05
Pvap	1.33	kPa	378.83	Calculated Property
Pvap	2.89	kPa	393.85	Calculated Property
Pvap	5.83	kPa	408.88	Calculated Property
Pvap	11.05	kPa	423.90	Calculated Property
Pvap	19.87	kPa	438.93	Calculated Property
Pvap	34.07	kPa	453.95	Calculated Property
Pvap	56.04	kPa	468.98	Calculated Property
Pvap	88.81	kPa	484.00	Calculated Property
Pvap	136.16	kPa	499.03	Calculated Property
Pvap	202.65	kPa	514.05	Calculated Property

Similar Compounds

Find more compounds similar to 5-Thiaundecane.

Sources

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

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