Chemical Properties of isopropyl benzyl sulfide

InChI

InChI=1S/C10H14S/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChI Key

GGIZKZIRURGXOI-UHFFFAOYSA-N

Formula

C10H14S

SMILES

CC(C)SCc1ccccc1

Molecular Weight¹

166.29

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.3416		Relay (1.0) Calculated Property
ΔfG°	176.41	kJ/mol	Joback Calculated Property
ΔfH°gas	35.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	60.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	3.328		Crippen Calculated Property
McVol	144.350	ml/mol	McGowan Calculated Property
Pc	3012.33	kPa	Joback Calculated Property
Inp	[1285.00; 1285.00]
Inp	1285.00		NIST
Inp	1285.00		NIST
Tboil	494.60	K	Relay (1.0) Calculated Property
Tc	711.63	K	Relay (1.0) Calculated Property
Tfus	239.83	K	Relay (1.0) Calculated Property
Vc	0.515	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.55; 443.84]	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			-2.21890e+01
Coefficient B			8.75230e-01
Coefficient C			-5.14400e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.55	J/mol×K	273.00	Calculated Property
Cp,gas	227.72	J/mol×K	353.78	Calculated Property
Cp,gas	269.64	J/mol×K	434.56	Calculated Property
Cp,gas	306.64	J/mol×K	515.33	Calculated Property
Cp,gas	339.04	J/mol×K	596.11	Calculated Property
Cp,gas	367.18	J/mol×K	676.89	Calculated Property
Cp,gas	391.40	J/mol×K	757.67	Calculated Property
Cp,gas	412.03	J/mol×K	838.44	Calculated Property
Cp,gas	429.40	J/mol×K	919.22	Calculated Property
Cp,gas	443.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to isopropyl benzyl sulfide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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