Chemical Properties of t-Butyl n-propyl sulfide

InChI

InChI=1S/C7H16S/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3

InChI Key

MTVMGLPBDYLGDV-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CCCSC(C)(C)C

Molecular Weight¹

132.27

Other Names

• tert-Butyl propyl 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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	-157.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.60	kJ/mol	Joback Calculated Property
ΔvapH°	44.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-2.83		Relay (1.0) Calculated Property
logPoct/wat	2.928		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Inp	[882.00; 882.00]
Inp	882.00		NIST
Inp	882.00		NIST
Inp	882.00		NIST
Tboil	409.05	K	Relay (1.0) Calculated Property
Tfus	179.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[247.82; 322.49]	J/mol×K	[425.31; 625.34]
Cp,gas	247.82	J/mol×K	425.31	Joback Calculated Property
Cp,gas	262.01	J/mol×K	458.65	Joback Calculated Property
Cp,gas	275.46	J/mol×K	491.99	Joback Calculated Property
Cp,gas	288.21	J/mol×K	525.32	Joback Calculated Property
Cp,gas	300.28	J/mol×K	558.66	Joback Calculated Property
Cp,gas	311.69	J/mol×K	592.00	Joback Calculated Property
Cp,gas	322.49	J/mol×K	625.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to t-Butyl n-propyl sulfide.

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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