Chemical Properties of Benzene, [(ethylthio)methyl]-

InChI

InChI=1S/C9H12S/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI Key

NTAIOEZEVLVLLW-UHFFFAOYSA-N

Formula

C9H12S

SMILES

CCSCc1ccccc1

Molecular Weight¹

152.26

Other Names

• Sulfide, benzyl ethyl
• «alpha»-(Ethylthio)toluene
• Benzyl ethyl sulfide
• Ethyl benzyl sulfide
• 1-Phenyl-2-thiabutane

• ω : Acentric Factor.
• 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.
• 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	0.3325		Relay (1.0) Calculated Property
ΔcH°liquid	-5853.20 ± 2.10	kJ/mol	NIST
ΔfG°	170.43	kJ/mol	Joback Calculated Property
ΔfH°gas	52.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-5.20 ± 2.20	kJ/mol	NIST
ΔfusH°	17.24	kJ/mol	Joback Calculated Property
ΔvapH°	[56.90; 57.20]	kJ/mol
ΔvapH°	56.90 ± 2.10	kJ/mol	NIST
ΔvapH°	57.00 ± 2.00	kJ/mol	NIST
ΔvapH°	57.20	kJ/mol	NIST
ΔvapH°	56.90 ± 2.10	kJ/mol	NIST
ΔvapH°	57.00 ± 2.00	kJ/mol	NIST
ΔvapH°	57.20	kJ/mol	NIST
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-2.57		Relay (1.0) Calculated Property
logPoct/wat	2.940		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Pc	3325.84	kPa	Joback Calculated Property
Inp	[1246.00; 1248.00]
Inp	1248.00		NIST
Inp	1248.00		NIST
Inp	1246.00		NIST
Tboil	495.43	K	Relay (1.0) Calculated Property
Tc	707.34	K	Relay (1.0) Calculated Property
Tfus	224.85	K	Relay (1.0) Calculated Property
Vc	0.465	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.46; 339.13]	J/mol×K	[500.98; 731.63]
Cp,gas	265.46	J/mol×K	500.98	Joback Calculated Property
Cp,gas	279.89	J/mol×K	539.42	Joback Calculated Property
Cp,gas	293.41	J/mol×K	577.86	Joback Calculated Property
Cp,gas	306.06	J/mol×K	616.30	Joback Calculated Property
Cp,gas	317.88	J/mol×K	654.75	Joback Calculated Property
Cp,gas	328.89	J/mol×K	693.19	Joback Calculated Property
Cp,gas	339.13	J/mol×K	731.63	Joback Calculated Property
ΔvapH	[54.80; 56.00]	kJ/mol	[358.00; 422.50]
ΔvapH	56.00	kJ/mol	358.00	NIST
ΔvapH	54.80	kJ/mol	422.50	NIST

Similar Compounds

Find more compounds similar to Benzene, [(ethylthio)methyl]-.

Sources

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

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