Chemical Properties of 3-methyl-4-thiaheptane

InChI

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

InChI Key

ZGVPENKHDNEGTK-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CCCSC(C)CC

Molecular Weight¹

132.27

Other Names

• Propyl 2-butyl sulfide
• Propyl (1-methylpropyl) sulfide
• (1-methylpropyl) propyl sulfide
• Sulfide, propyl 1-methylpropyl

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfG°	38.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.22	kJ/mol	Joback Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	37.61	kJ/mol	Joback Calculated Property
log10WS	-2.75		Crippen Calculated Property
logPoct/wat	2.928		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[940.00; 951.00]
Inp	941.00		NIST
Inp	940.00		NIST
Inp	946.00		NIST
Inp	951.00		NIST
Inp	941.00		NIST
Inp	941.00		NIST
Tboil	427.90	K	Joback Calculated Property
Tc	619.57	K	Joback Calculated Property
Tfus	188.05	K	Joback Calculated Property
Vc	0.475	m3/kmol	Joback Calculated Property

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 3-methyl-4-thiaheptane.

Sources

• 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.