Chemical Properties of Benzyl methyl sulfide (CAS 766-92-7)

InChI

InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChI Key

OFQPKKGMNWASPN-UHFFFAOYSA-N

Formula

C8H10S

SMILES

CSCc1ccccc1

Molecular Weight¹

138.23

CAS

766-92-7

Other Names

• Benzene, [(methylthio)methyl]-
• Sulfide, benzyl methyl
• Methyl benzyl sulfide
• 1-Phenyl-2-thiapropane
• Methylthiomethylbenzene
• «alpha»-(Methylthio)toluene
• Benzyl methyl sulphide
• NSC 75125

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : 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
ΔcH°liquid	-5205.10 ± 2.00	kJ/mol	NIST
ΔfG°	162.01	kJ/mol	Joback Calculated Property
ΔfH°gas	79.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	26.00 ± 2.00	kJ/mol	NIST
ΔfusH°	14.65	kJ/mol	Joback Calculated Property
ΔvapH°	[53.00; 55.20]	kJ/mol
ΔvapH°	55.20 ± 2.10	kJ/mol	NIST
ΔvapH°	54.00 ± 2.00	kJ/mol	NIST
ΔvapH°	53.00	kJ/mol	NIST
IE	[8.20; 8.64]	eV
IE	8.20	eV	NIST
IE	8.64	eV	NIST
IE	8.41	eV	NIST
IE	8.42	eV	NIST
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	2.550		Crippen Calculated Property
McVol	116.170	ml/mol	McGowan Calculated Property
Pc	3727.11	kPa	Joback Calculated Property
Inp	[1131.00; 1200.00]
Inp	1176.00		NIST
Inp	1176.00		NIST
Inp	1167.00		NIST
Inp	1185.00		NIST
Inp	1184.00		NIST
Inp	1200.00		NIST
Inp	1176.00		NIST
Inp	1183.00		NIST
Inp	Outlier 1131.00		NIST
Inp	1147.00		NIST
I	[1664.00; 1680.00]
I	1680.00		NIST
I	1664.00		NIST
I	1665.00		NIST
I	1665.00		NIST
Tboil	469.70	K	NIST
Tc	712.59	K	Joback Calculated Property
Tfus	240.74	K	Joback Calculated Property
Vc	0.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.99; 290.68]	J/mol×K	[477.90; 712.59]
Cp,gas	222.99	J/mol×K	477.90	Joback Calculated Property
Cp,gas	236.28	J/mol×K	517.01	Joback Calculated Property
Cp,gas	248.73	J/mol×K	556.13	Joback Calculated Property
Cp,gas	260.36	J/mol×K	595.24	Joback Calculated Property
Cp,gas	271.21	J/mol×K	634.36	Joback Calculated Property
Cp,gas	281.31	J/mol×K	673.47	Joback Calculated Property
Cp,gas	290.68	J/mol×K	712.59	Joback Calculated Property
ΔvapH	[50.80; 51.80]	kJ/mol	[352.00; 352.00]
ΔvapH	51.80	kJ/mol	352.00	NIST
ΔvapH	50.80	kJ/mol	352.00	NIST

Similar Compounds

Find more compounds similar to Benzyl methyl sulfide.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.