Chemical Properties of Ethane, (methylthio)- (CAS 624-89-5)

InChI

InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3

InChI Key

WXEHBUMAEPOYKP-UHFFFAOYSA-N

Formula

C3H8S

SMILES

CCSC

Molecular Weight¹

76.16

CAS

624-89-5

Other Names

• (METHYLTHIO)ETHANE
• 1-(Methylsulfanyl)ethane
• 1-(methylthio)ethane
• 2-THIABUTANE
• C2H5SCH3
• Ethyl methyl sulfide
• Ethyl methyl sulphide
• METHYL ETHYL SULFIDE
• Methyl ethyl sulphide
• Sulfide, ethyl methyl

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (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	0.2160		KDB
PAff	846.50	kJ/mol	NIST
BasG	815.30	kJ/mol	NIST
ΔcH°liquid	-2833.60 ± 1.10	kJ/mol	NIST
ΔfG°	11.40	kJ/mol	KDB
ΔfH°gas	[-60.30; -59.66]	kJ/mol
ΔfH°gas	-59.66	kJ/mol	KDB
ΔfH°gas	-60.30 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-92.30 ± 1.10	kJ/mol	NIST
ΔfusH°	7.66	kJ/mol	Joback Calculated Property
ΔvapH°	[31.50; 32.00]	kJ/mol
ΔvapH°	31.99	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
ΔvapH°	31.80	kJ/mol	NIST
ΔvapH°	32.00	kJ/mol	NIST
IE	[8.46; 10.96]	eV
IE	8.55 ± 0.01	eV	NIST
IE	8.46	eV	NIST
IE	8.50 ± 0.10	eV	NIST
IE	8.55 ± 0.01	eV	NIST
IE	Outlier 10.96	eV	NIST
IE	8.54	eV	NIST
log10WS	-0.96		Crippen Calculated Property
logPoct/wat	1.369		Crippen Calculated Property
McVol	69.480	ml/mol	McGowan Calculated Property
Pc	4260.00	kPa	KDB
Inp	[605.00; 638.20]
Inp	625.00		NIST
Inp	Outlier 638.20		NIST
Inp	618.80		NIST
Inp	621.90		NIST
Inp	616.00		NIST
Inp	608.00		NIST
Inp	616.00		NIST
Inp	623.00		NIST
Inp	609.00		NIST
Inp	609.00		NIST
Inp	625.00		NIST
Inp	619.00		NIST
Inp	622.00		NIST
Inp	620.00		NIST
Inp	610.00		NIST
Inp	614.00		NIST
Inp	622.00		NIST
Inp	611.00		NIST
Inp	605.00		NIST
Inp	617.00		NIST
Inp	625.00		NIST
Inp	608.00		NIST
I	[829.00; 859.00]
I	859.00		NIST
I	829.00		NIST
I	859.00		NIST
I	859.00		NIST
Tboil	[335.20; 340.00]	K
Tboil	339.80	K	KDB
Tboil	339.80	K	NIST
Tboil	339.80	K	NIST
Tboil	340.00 ± 5.00	K	NIST
Tboil	339.80 ± 0.30	K	NIST
Tboil	Outlier 335.20 ± 1.50	K	NIST
Tc	[533.00; 553.00]	K
Tc	533.00	K	KDB
Tc	553.00	K	NIST
Tfus	[167.20; 167.24]	K
Tfus	167.20	K	KDB
Tfus	167.24 ± 0.10	K	NIST
Ttriple	167.23 ± 0.02	K	NIST
Vc	0.258	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.79; 141.26]	J/mol×K	[336.82; 528.38]
Cp,gas	103.79	J/mol×K	336.82	Joback Calculated Property
Cp,gas	110.56	J/mol×K	368.75	Joback Calculated Property
Cp,gas	117.12	J/mol×K	400.67	Joback Calculated Property
Cp,gas	123.47	J/mol×K	432.60	Joback Calculated Property
Cp,gas	129.61	J/mol×K	464.53	Joback Calculated Property
Cp,gas	135.54	J/mol×K	496.46	Joback Calculated Property
Cp,gas	141.26	J/mol×K	528.38	Joback Calculated Property
ΔfusH	[9.76; 9.76]	kJ/mol	[167.20; 167.20]
ΔfusH	9.76	kJ/mol	167.20	NIST
ΔfusH	9.76	kJ/mol	167.20	NIST
ΔvapH	[29.50; 33.70]	kJ/mol	[287.00; 340.20]
ΔvapH	32.30	kJ/mol	287.00	NIST
ΔvapH	32.00 ± 0.08	kJ/mol	301.00	NIST
ΔvapH	31.64	kJ/mol	301.66	NIST
ΔvapH	33.70	kJ/mol	308.00	NIST
ΔvapH	31.80	kJ/mol	334.50	NIST
ΔvapH	30.30	kJ/mol	338.00	NIST
ΔvapH	29.53	kJ/mol	339.80	NIST
ΔvapH	29.50	kJ/mol	340.20	KDB
Pvap	[1.00; 40.00]	kPa	[247.76; 313.35]
Pvap	1.00	kPa	247.76	Measure...
Pvap	6.00	kPa	272.96	Measure...
Pvap	17.00	kPa	293.23	Measure...
Pvap	17.00	kPa	293.41	Measure...
Pvap	40.00	kPa	313.33	Measure...
Pvap	40.00	kPa	313.35	Measure...
ρl	837.00	kg/m3	293.00	KDB
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4259.64]	kPa	[247.75; 533.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39945e+01
Coefficient B			-2.73161e+03
Coefficient C			-4.84660e+01
Temperature range, min.			247.75
Temperature range, max.			533.00
Pvap	1.33	kPa	247.75	Calculated Property
Pvap	8.74	kPa	279.44	Calculated Property
Pvap	36.43	kPa	311.14	Calculated Property
Pvap	111.60	kPa	342.83	Calculated Property
Pvap	275.05	kPa	374.53	Calculated Property
Pvap	577.75	kPa	406.22	Calculated Property
Pvap	1075.49	kPa	437.92	Calculated Property
Pvap	1823.28	kPa	469.61	Calculated Property
Pvap	2870.84	kPa	501.31	Calculated Property
Pvap	4259.64	kPa	533.00	Calculated Property
Pvap	[1.30; 4251.33]	kPa	[247.15; 532.80]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.85436e+01
Coefficient B			-6.34327e+03
Coefficient C			-9.63519e+00
Coefficient D			7.77843e-06
Temperature range, min.			247.15
Temperature range, max.			532.80
Pvap	1.30	kPa	247.15	Calculated Property
Pvap	8.58	kPa	278.89	Calculated Property
Pvap	35.90	kPa	310.63	Calculated Property
Pvap	109.70	kPa	342.37	Calculated Property
Pvap	268.35	kPa	374.11	Calculated Property
Pvap	559.06	kPa	405.84	Calculated Property
Pvap	1035.51	kPa	437.58	Calculated Property
Pvap	1758.46	kPa	469.32	Calculated Property
Pvap	2800.03	kPa	501.06	Calculated Property
Pvap	4251.33	kPa	532.80	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, (methylthio)-.

Mixtures

• Ethane, (methylthio)- + Hydrogen sulfide
• Methane + Ethane, (methylthio)-

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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