Chemical Properties of Butane, 1-[(1-methylethyl)thio]-

InChI

InChI=1S/C7H16S/c1-4-5-6-8-7(2)3/h7H,4-6H2,1-3H3

InChI Key

QIAZGMDOMXLGBB-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CCCCSC(C)C

Molecular Weight¹

132.27

Other Names

• Sulfide, butyl isopropyl
• Butyl isopropyl sulfide

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-156.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	46.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
logPoct/wat	2.928		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Inp	[936.00; 936.00]
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Tboil	417.75 ± 0.30	K	NIST
Tfus	176.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[245.63; 316.66]	J/mol×K	[427.90; 619.57]
Cp,gas	245.63	J/mol×K	427.90	Joback Calculated Property
Cp,gas	258.76	J/mol×K	459.85	Joback Calculated Property
Cp,gas	271.36	J/mol×K	491.79	Joback Calculated Property
Cp,gas	283.45	J/mol×K	523.74	Joback Calculated Property
Cp,gas	295.02	J/mol×K	555.68	Joback Calculated Property
Cp,gas	306.08	J/mol×K	587.63	Joback Calculated Property
Cp,gas	316.66	J/mol×K	619.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-[(1-methylethyl)thio]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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