Chemical Properties of Sulfide, isobutyl isopropyl (CAS 10359-65-6)

InChI

InChI=1S/C7H16S/c1-6(2)5-8-7(3)4/h6-7H,5H2,1-4H3

InChI Key

NAPBMSIZYSDRMH-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CC(C)CSC(C)C

Molecular Weight¹

132.27

CAS

10359-65-6

Other Names

• Propane, 2-methyl-1-[(1-methylethyl)thio]-
• 1-(Isopropylsulfanyl)-2-methylpropane
• 2,5-Dimethyl-3-thiahexane
• Isopropyl isobutyl sulfide

• 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°	36.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.50	kJ/mol	Joback Calculated Property
ΔfusH°	10.97	kJ/mol	Joback Calculated Property
ΔvapH°	37.22	kJ/mol	Joback Calculated Property
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	2.784		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[895.00; 895.00]
Inp	895.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Tboil	427.46	K	Joback Calculated Property
Tc	623.67	K	Joback Calculated Property
Tfus	173.05	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.67; 318.62]	J/mol×K	[427.46; 623.67]
Cp,gas	245.67	J/mol×K	427.46	Joback Calculated Property
Cp,gas	259.20	J/mol×K	460.16	Joback Calculated Property
Cp,gas	272.18	J/mol×K	492.86	Joback Calculated Property
Cp,gas	284.59	J/mol×K	525.56	Joback Calculated Property
Cp,gas	296.47	J/mol×K	558.26	Joback Calculated Property
Cp,gas	307.81	J/mol×K	590.96	Joback Calculated Property
Cp,gas	318.62	J/mol×K	623.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, isobutyl isopropyl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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