Chemical Properties of 3-Ethylthiolane (CAS 62184-67-2)

InChI

InChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3

InChI Key

BEEJXKSVPBKHQM-UHFFFAOYSA-N

Formula

C6H12S

SMILES

CCC1CCSC1

Molecular Weight¹

116.22

CAS

62184-67-2

Other Names

• 3-Ethyl-thiacyclopentane
• 3-Ethyltetrahydrothiophene

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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
ω	0.2368		Relay (1.0) Calculated Property
ΔfG°	76.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-79.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.89	kJ/mol	Joback Calculated Property
ΔvapH°	47.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
logPoct/wat	2.150		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3810.39	kPa	Joback Calculated Property
Inp	[926.00; 970.00]
Inp	970.00		NIST
Inp	970.00		NIST
Inp	926.00		NIST
Inp	970.00		NIST
Inp	926.00		NIST
Tboil	427.78	K	Relay (1.0) Calculated Property
Tc	654.28	K	Relay (1.0) Calculated Property
Tfus	188.63	K	Relay (1.0) Calculated Property
Vc	0.353	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.08; 338.50]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.12290e+01
Coefficient B			7.19930e-01
Coefficient C			-4.48700e-04
Coefficient D			1.08500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.08	J/mol×K	273.00	Calculated Property
Cp,gas	162.11	J/mol×K	353.78	Calculated Property
Cp,gas	195.79	J/mol×K	434.56	Calculated Property
Cp,gas	225.46	J/mol×K	515.33	Calculated Property
Cp,gas	251.47	J/mol×K	596.11	Calculated Property
Cp,gas	274.15	J/mol×K	676.89	Calculated Property
Cp,gas	293.85	J/mol×K	757.67	Calculated Property
Cp,gas	310.91	J/mol×K	838.44	Calculated Property
Cp,gas	325.68	J/mol×K	919.22	Calculated Property
Cp,gas	338.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethylthiolane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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