Chemical Properties of 1-Decanethiol (CAS 143-10-2)

InChI

InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

InChI Key

VTXVGVNLYGSIAR-UHFFFAOYSA-N

Formula

C10H22S

SMILES

CCCCCCCCCCS

Molecular Weight¹

174.35

CAS

143-10-2

Other Names

• 1-Decylthiol
• 1-MERCAPTODECANE
• DECANETHIOL-(1)
• Decyl mercaptan
• decane-1-thiol
• n-Decyl mercaptan

• ω : Acentric Factor.
• 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_boilr : Boiling point at reduced pressure (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
ω	0.5989		Relay (... Calculated Property
ΔcH°liquid	-7405.10 ± 1.20	kJ/mol	NIST
ΔfG°	62.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.90 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-276.40 ± 1.40	kJ/mol	NIST
ΔfusH°	25.70	kJ/mol	Joback Calculated Property
ΔvapH°	[64.50; 65.50]	kJ/mol
ΔvapH°	65.48	kJ/mol	NIST
ΔvapH°	65.48 ± 0.54	kJ/mol	NIST
ΔvapH°	65.50 ± 0.50	kJ/mol	NIST
ΔvapH°	64.50 ± 0.40	kJ/mol	NIST
ΔvapH°	64.50	kJ/mol	NIST
IE	9.17	eV	Relay (... Calculated Property
log10WS	-5.45		Relay (... Calculated Property
logPoct/wat	4.057		Crippen Calculated Property
McVol	168.110	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[1320.00; 1334.00]
Inp	1334.00		NIST
Inp	1320.00		NIST
Inp	1324.00		NIST
Inp	1334.00		NIST
Inp	1323.00		NIST
Inp	1334.00		NIST
Inp	1323.00		NIST
I	[1571.00; 1571.00]
I	1571.00		NIST
I	1571.00		NIST
S°liquid	476.13	J/mol×K	NIST
Tboil	504.75	K	Relay (... Calculated Property
Tc	692.01	K	Relay (... Calculated Property
Tfus	263.76	K	Relay (... Calculated Property
Ttriple	[247.85; 247.87]	K
Ttriple	247.87 ± 0.02	K	NIST
Ttriple	247.85 ± 0.01	K	NIST
Ttriple	247.87 ± 0.02	K	NIST
Ttriple	247.85 ± 0.01	K	NIST
Vc	0.653	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.06; 457.79]	J/mol×K	[491.06; 673.00]
Cp,gas	373.06	J/mol×K	491.06	Joback Calculated Property
Cp,gas	388.80	J/mol×K	521.38	Joback Calculated Property
Cp,gas	403.87	J/mol×K	551.71	Joback Calculated Property
Cp,gas	418.28	J/mol×K	582.03	Joback Calculated Property
Cp,gas	432.06	J/mol×K	612.35	Joback Calculated Property
Cp,gas	445.22	J/mol×K	642.67	Joback Calculated Property
Cp,gas	457.79	J/mol×K	673.00	Joback Calculated Property
Cp,liquid	[349.63; 365.44]	J/mol×K	[298.15; 300.00]
Cp,liquid	350.41	J/mol×K	298.15	NIST
Cp,liquid	349.63	J/mol×K	298.15	NIST
Cp,liquid	365.44	J/mol×K	300.00	NIST
ΔfusH	[33.30; 33.32]	kJ/mol	[247.86; 247.90]
ΔfusH	33.32	kJ/mol	247.86	NIST
ΔfusH	33.32	kJ/mol	247.86	NIST
ΔfusH	33.30	kJ/mol	247.90	NIST
ΔfusH	33.30	kJ/mol	247.90	NIST
ΔvapH	[54.60; 58.60]	kJ/mol	[288.00; 473.50]
ΔvapH	58.60	kJ/mol	288.00	NIST
ΔvapH	56.40	kJ/mol	467.00	NIST
ΔvapH	54.60	kJ/mol	473.50	NIST
ΔfusS	[134.42; 134.42]	J/mol×K	[247.86; 247.86]
ΔfusS	134.42	J/mol×K	247.86	NIST
ΔfusS	134.42	J/mol×K	247.86	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[390.28; 536.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58516e+01
Coefficient B			-4.77343e+03
Coefficient C			-8.35830e+01
Temperature range, min.			390.28
Temperature range, max.			536.47
Pvap	1.33	kPa	390.28	Calculated Property
Pvap	2.92	kPa	406.52	Calculated Property
Pvap	5.92	kPa	422.77	Calculated Property
Pvap	11.26	kPa	439.01	Calculated Property
Pvap	20.26	kPa	455.25	Calculated Property
Pvap	34.68	kPa	471.50	Calculated Property
Pvap	56.87	kPa	487.74	Calculated Property
Pvap	89.76	kPa	503.98	Calculated Property
Pvap	136.94	kPa	520.23	Calculated Property
Pvap	202.68	kPa	536.47	Calculated Property
Pvap	[1.38e-05; 2128.96]	kPa	[247.56; 696.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.53103e+02
Coefficient B			-1.35869e+04
Coefficient C			-1.99591e+01
Coefficient D			9.74603e-06
Temperature range, min.			247.56
Temperature range, max.			696.00
Pvap	1.38e-05	kPa	247.56	Calculated Property
Pvap	4.56e-03	kPa	297.39	Calculated Property
Pvap	0.20	kPa	347.21	Calculated Property
Pvap	2.67	kPa	397.04	Calculated Property
Pvap	17.27	kPa	446.87	Calculated Property
Pvap	69.90	kPa	496.69	Calculated Property
Pvap	208.43	kPa	546.52	Calculated Property
Pvap	507.91	kPa	596.35	Calculated Property
Pvap	1084.54	kPa	646.17	Calculated Property
Pvap	2128.96	kPa	696.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Decanethiol.

Sources

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

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