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_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	-164.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.97	kJ/mol	Joback Calculated Property
ΔvapH°	45.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
logPoct/wat	2.784		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Inp	[895.00; 895.00]
Inp	895.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Tboil	414.28	K	Relay (1.0) Calculated Property
Tfus	178.90	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.85; 408.13]	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			1.27610e+01
Coefficient B			6.75070e-01
Coefficient C			-3.23200e-04
Coefficient D			4.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.85	J/mol×K	273.00	Calculated Property
Cp,gas	213.06	J/mol×K	353.78	Calculated Property
Cp,gas	248.65	J/mol×K	434.56	Calculated Property
Cp,gas	280.77	J/mol×K	515.33	Calculated Property
Cp,gas	309.54	J/mol×K	596.11	Calculated Property
Cp,gas	335.12	J/mol×K	676.89	Calculated Property
Cp,gas	357.62	J/mol×K	757.67	Calculated Property
Cp,gas	377.20	J/mol×K	838.44	Calculated Property
Cp,gas	393.99	J/mol×K	919.22	Calculated Property
Cp,gas	408.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, isobutyl isopropyl.

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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