Chemical Properties of 2-Ethylthiacyclohexane (CAS 1613-52-1)

InChI

InChI=1S/C7H14S/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3

InChI Key

GYIFZSXJAVPBLL-UHFFFAOYSA-N

Formula

C7H14S

SMILES

CCC1CCCCS1

Molecular Weight¹

130.25

CAS

1613-52-1

Other Names

• 2-Ethylthiane
• 2-Ethylthiapyran

• 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).
• 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
ΔfG°	72.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.23	kJ/mol	Joback Calculated Property
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	37.42	kJ/mol	Joback Calculated Property
log10WS	-2.64		Crippen Calculated Property
logPoct/wat	2.682		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	3497.14	kPa	Joback Calculated Property
Inp	[1011.00; 1024.00]
Inp	1024.00		NIST
Inp	1019.00		NIST
Inp	1011.00		NIST
Inp	1011.00		NIST
Inp	1024.00		NIST
Inp	1011.00		NIST
Tboil	426.94	K	Joback Calculated Property
Tc	646.42	K	Joback Calculated Property
Tfus	259.48	K	Joback Calculated Property
Vc	0.406	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.37; 306.93]	J/mol×K	[426.94; 646.42]
Cp,gas	220.37	J/mol×K	426.94	Joback Calculated Property
Cp,gas	236.92	J/mol×K	463.52	Joback Calculated Property
Cp,gas	252.59	J/mol×K	500.10	Joback Calculated Property
Cp,gas	267.39	J/mol×K	536.68	Joback Calculated Property
Cp,gas	281.37	J/mol×K	573.26	Joback Calculated Property
Cp,gas	294.54	J/mol×K	609.84	Joback Calculated Property
Cp,gas	306.93	J/mol×K	646.42	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[310.55; 508.11]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.16872e+01
Coefficient B			-2.85803e+03
Coefficient C			-5.98390e+01
Temperature range, min.			310.55
Temperature range, max.			508.11
Pvap	1.33	kPa	310.55	Calculated Property
Pvap	3.34	kPa	332.50	Calculated Property
Pvap	7.29	kPa	354.45	Calculated Property
Pvap	14.28	kPa	376.40	Calculated Property
Pvap	25.65	kPa	398.35	Calculated Property
Pvap	42.89	kPa	420.31	Calculated Property
Pvap	67.60	kPa	442.26	Calculated Property
Pvap	101.43	kPa	464.21	Calculated Property
Pvap	145.95	kPa	486.16	Calculated Property
Pvap	202.66	kPa	508.11	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylthiacyclohexane.

Sources

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

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