Chemical Properties of Ethanol, 2-(ethylthio)- (CAS 110-77-0)

InChI

InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3

InChI Key

LNRIEBFNWGMXKP-UHFFFAOYSA-N

Formula

C4H10OS

SMILES

CCSCCO

Molecular Weight¹

106.19

CAS

110-77-0

Other Names

• 2-(Ethylthio)ethanol
• «beta»-Ethylthioethanol
• «beta»-Hydroxydiethyl sulfide
• Ethyl «beta»-hydroxyethyl sulfide
• Ethyl 2-hydroxyethyl sulfide
• Ethyl 2-hydroxyethyl thioether
• 2-Hydroxyethyl ethyl sulfide
• Ethyl thioethanol
• «beta»-ethylmerkaptoethanol
• NSC 57105

• 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).
• 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°	-120.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-236.25	kJ/mol	Joback Calculated Property
ΔfusH°	14.33	kJ/mol	Joback Calculated Property
ΔvapH°	47.99	kJ/mol	Joback Calculated Property
log10WS	-0.64		Crippen Calculated Property
logPoct/wat	0.732		Crippen Calculated Property
McVol	89.440	ml/mol	McGowan Calculated Property
Pc	4486.22	kPa	Joback Calculated Property
Tboil	[454.50; 457.20]	K
Tboil	455.20	K	NIST
Tboil	457.20	K	NIST
Tboil	454.50 ± 1.50	K	NIST
Tc	635.80	K	Joback Calculated Property
Tfus	230.06	K	Joback Calculated Property
Vc	0.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.56; 216.63]	J/mol×K	[451.88; 635.80]
Cp,gas	174.56	J/mol×K	451.88	Joback Calculated Property
Cp,gas	182.30	J/mol×K	482.53	Joback Calculated Property
Cp,gas	189.74	J/mol×K	513.19	Joback Calculated Property
Cp,gas	196.89	J/mol×K	543.84	Joback Calculated Property
Cp,gas	203.75	J/mol×K	574.49	Joback Calculated Property
Cp,gas	210.33	J/mol×K	605.15	Joback Calculated Property
Cp,gas	216.63	J/mol×K	635.80	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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