Chemical Properties of Thiophene, 2-butyltetrahydro-

InChI

InChI=1S/C8H16S/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3

InChI Key

NBPQJOLVXAKDFK-UHFFFAOYSA-N

Formula

C8H16S

SMILES

CCCCC1CCCS1

Molecular Weight¹

144.28

Other Names

• 2-Butyltetrahydrothiophene
• 2-Butylthiacyclopentane
• 2-Butylthiophane
• 2-Butyl-thiolane
• Thiolane, 2-butyl

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3192		Relay (1.0) Calculated Property
ΔfG°	92.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.07	kJ/mol	Joback Calculated Property
ΔvapH°	53.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
logPoct/wat	3.072		Crippen Calculated Property
McVol	129.070	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[1093.00; 1182.00]
Inp	1169.00		NIST
Inp	1098.00		NIST
Inp	1093.00		NIST
Inp	1098.00		NIST
Inp	1093.00		NIST
Inp	1169.00		NIST
Inp	1168.00		NIST
Inp	1174.00		NIST
Inp	1182.00		NIST
Inp	1133.00		NIST
Inp	1133.00		NIST
Inp	1133.00		NIST
Inp	1133.00		NIST
Inp	1131.00		NIST
Inp	1131.00		NIST
Inp	1169.00		NIST
Inp	1133.00		NIST
Tboil	471.81	K	Relay (1.0) Calculated Property
Tc	682.28	K	Relay (1.0) Calculated Property
Tfus	188.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.51; 441.68]	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			-4.30470e+01
Coefficient B			9.09930e-01
Coefficient C			-5.57500e-04
Coefficient D			1.32300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.51	J/mol×K	273.00	Calculated Property
Cp,gas	214.95	J/mol×K	353.78	Calculated Property
Cp,gas	257.95	J/mol×K	434.56	Calculated Property
Cp,gas	295.92	J/mol×K	515.33	Calculated Property
Cp,gas	329.29	J/mol×K	596.11	Calculated Property
Cp,gas	358.47	J/mol×K	676.89	Calculated Property
Cp,gas	383.88	J/mol×K	757.67	Calculated Property
Cp,gas	405.94	J/mol×K	838.44	Calculated Property
Cp,gas	425.07	J/mol×K	919.22	Calculated Property
Cp,gas	441.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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