Chemical Properties of Propane, 2-(ethylthio)-2-methyl- (CAS 14290-92-7)

InChI

InChI=1S/C6H14S/c1-5-7-6(2,3)4/h5H2,1-4H3

InChI Key

GZJUDUMQICJSFJ-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CCSC(C)(C)C

Molecular Weight¹

118.24

CAS

14290-92-7

Other Names

• 1-(tert-Butylthio)ethane
• 2,2-Dimethyl-3-thiapentane
• 2-(Ethylthio)-2-methyl-propane
• Ethyl tert-butyl sulfide
• Sulfide, tert-butyl ethyl
• tert-Butyl ethyl sulfide
• tert-Butyl ethyl sulphide

• 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.
• 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
ΔcH°liquid	-4776.90 ± 2.10	kJ/mol	NIST
ΔfG°	35.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-187.00 ± 2.00	kJ/mol	NIST
ΔfusH°	8.01	kJ/mol	Joback Calculated Property
ΔvapH°	[39.00; 39.30]	kJ/mol
ΔvapH°	39.30	kJ/mol	NIST
ΔvapH°	39.00 ± 1.00	kJ/mol	NIST
ΔvapH°	39.00	kJ/mol	NIST
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Pc	3235.66	kPa	Joback Calculated Property
Inp	[782.00; 792.00]
Inp	792.00		NIST
Inp	Outlier 782.00		NIST
Inp	792.00		NIST
Inp	792.00		NIST
Inp	792.00		NIST
Inp	792.00		NIST
Tboil	[390.30; 393.60]	K
Tboil	390.30 ± 2.00	K	NIST
Tboil	393.56 ± 0.30	K	NIST
Tboil	393.56 ± 0.30	K	NIST
Tboil	393.60 ± 0.30	K	NIST
Tboil	393.30 ± 0.40	K	NIST
Tc	604.13	K	Joback Calculated Property
Tfus	[184.20; 187.20]	K
Tfus	187.20 ± 0.20	K	NIST
Tfus	184.20 ± 0.20	K	NIST
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.29; 276.44]	J/mol×K	[402.23; 604.13]
Cp,gas	208.29	J/mol×K	402.23	Joback Calculated Property
Cp,gas	221.25	J/mol×K	435.88	Joback Calculated Property
Cp,gas	233.54	J/mol×K	469.53	Joback Calculated Property
Cp,gas	245.18	J/mol×K	503.18	Joback Calculated Property
Cp,gas	256.20	J/mol×K	536.83	Joback Calculated Property
Cp,gas	266.61	J/mol×K	570.48	Joback Calculated Property
Cp,gas	276.44	J/mol×K	604.13	Joback Calculated Property
ΔvapH	[37.10; 39.20]	kJ/mol	[356.50; 366.00]
ΔvapH	39.20	kJ/mol	356.50	NIST
ΔvapH	37.10	kJ/mol	366.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[290.85; 414.40]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50819e+01
Coefficient B			-3.55490e+03
Coefficient C			-5.05600e+01
Temperature range, min.			290.85
Temperature range, max.			414.40
Pvap	1.33	kPa	290.85	Calculated Property
Pvap	2.97	kPa	304.58	Calculated Property
Pvap	6.08	kPa	318.31	Calculated Property
Pvap	11.61	kPa	332.03	Calculated Property
Pvap	20.90	kPa	345.76	Calculated Property
Pvap	35.68	kPa	359.49	Calculated Property
Pvap	58.23	kPa	373.22	Calculated Property
Pvap	91.28	kPa	386.94	Calculated Property
Pvap	138.15	kPa	400.67	Calculated Property
Pvap	202.63	kPa	414.40	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-(ethylthio)-2-methyl-.

Sources

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

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