Chemical Properties of Thiophene, 2-ethyltetrahydro- (CAS 1551-32-2)

InChI

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

InChI Key

FQAXENNJSLPYOP-UHFFFAOYSA-N

Formula

C6H12S

SMILES

CCC1CCCS1

Molecular Weight¹

116.22

CAS

1551-32-2

Other Names

• 2-Ethyl-thiacyclopentane
• 2-Ethyl-thiolane
• 2-Ethyltetrahydrothiophene
• 2-Ethylthiophane
• Tetrahydro-2-ethylthiophene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2335		Relay (1.0) Calculated Property
ΔfH°gas	-73.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.89	kJ/mol	Joback Calculated Property
ΔvapH°	44.59	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.292		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3810.39	kPa	Joback Calculated Property
Inp	[926.00; 945.00]
Inp	945.00		NIST
Inp	934.00		NIST
Inp	930.00		NIST
Inp	934.00		NIST
Inp	930.00		NIST
Inp	926.00		NIST
Inp	926.00		NIST
Inp	928.00		NIST
Inp	926.00		NIST
Inp	945.00		NIST
Inp	926.00		NIST
Inp	945.00		NIST
Inp	926.00		NIST
Tboil	424.59	K	Relay (1.0) Calculated Property
Tc	647.18	K	Relay (1.0) Calculated Property
Tfus	168.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.89; 256.49]	J/mol×K	[399.99; 613.05]
Cp,gas	181.89	J/mol×K	399.99	Joback Calculated Property
Cp,gas	196.16	J/mol×K	435.50	Joback Calculated Property
Cp,gas	209.66	J/mol×K	471.01	Joback Calculated Property
Cp,gas	222.41	J/mol×K	506.52	Joback Calculated Property
Cp,gas	234.45	J/mol×K	542.03	Joback Calculated Property
Cp,gas	245.80	J/mol×K	577.54	Joback Calculated Property
Cp,gas	256.49	J/mol×K	613.05	Joback Calculated Property
ΔvapH	42.60	kJ/mol	410.50	NIST

Similar Compounds

Find more compounds similar to Thiophene, 2-ethyltetrahydro-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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