Chemical Properties of 3-Ethylthio-1-propene (CAS 5296-62-8)

InChI

InChI=1S/C5H10S/c1-3-5-6-4-2/h3H,1,4-5H2,2H3

InChI Key

NOJXPGXFDASWEI-UHFFFAOYSA-N

Formula

C5H10S

SMILES

C=CCSCC

Molecular Weight¹

102.20

CAS

5296-62-8

Other Names

• 4-Thia-1-hexene
• Allyl ethyl sulfide
• Allyl ethyl sulphide
• CH2=CHCH2SC2H5

• 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).
• 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.
• 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	-3977.40 ± 1.90	kJ/mol	NIST
ΔfG°	112.18	kJ/mol	Joback Calculated Property
ΔfH°gas	18.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-21.00 ± 3.00	kJ/mol	NIST
ΔfusH°	11.56	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
IE	8.51 ± 0.01	eV	NIST
log10WS	-1.65		Crippen Calculated Property
logPoct/wat	1.925		Crippen Calculated Property
McVol	93.360	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[777.00; 777.00]
Inp	777.00		NIST
Inp	777.00		NIST
Tboil	379.26	K	Joback Calculated Property
Tc	573.61	K	Joback Calculated Property
Tfus	178.75	K	Joback Calculated Property
Vc	0.350	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.70; 206.14]	J/mol×K	[379.26; 573.61]
Cp,gas	155.70	J/mol×K	379.26	Joback Calculated Property
Cp,gas	165.05	J/mol×K	411.65	Joback Calculated Property
Cp,gas	174.01	J/mol×K	444.04	Joback Calculated Property
Cp,gas	182.59	J/mol×K	476.44	Joback Calculated Property
Cp,gas	190.80	J/mol×K	508.83	Joback Calculated Property
Cp,gas	198.64	J/mol×K	541.22	Joback Calculated Property
Cp,gas	206.14	J/mol×K	573.61	Joback Calculated Property
ΔvapH	38.90	kJ/mol	313.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[287.74; 531.14]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			7.01322e+00
Coefficient B			-5.54504e+02
Coefficient C			-2.05297e+02
Temperature range, min.			287.74
Temperature range, max.			531.14
Pvap	1.33	kPa	287.74	Calculated Property
Pvap	7.02	kPa	314.78	Calculated Property
Pvap	19.14	kPa	341.83	Calculated Property
Pvap	37.46	kPa	368.87	Calculated Property
Pvap	60.60	kPa	395.92	Calculated Property
Pvap	86.98	kPa	422.96	Calculated Property
Pvap	115.27	kPa	450.01	Calculated Property
Pvap	144.42	kPa	477.05	Calculated Property
Pvap	173.72	kPa	504.10	Calculated Property
Pvap	202.65	kPa	531.14	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethylthio-1-propene.

Sources

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

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