Chemical Properties of Benzene, 1-(ethylthio)-4-methyl- (CAS 622-63-9)

InChI

InChI=1S/C9H12S/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChI Key

TXMFDSUMJLQLGB-UHFFFAOYSA-N

Formula

C9H12S

SMILES

CCSc1ccc(C)cc1

Molecular Weight¹

152.26

CAS

622-63-9

Other Names

• Sulfide, ethyl p-tolyl
• p-Cresyl ethyl sulfide
• Ethyl p-cresyl sulfide
• Ethyl p-tolyl sulfide
• 4-(Ethylthio)toluene
• 4-Methyl-1-(1-thiapropyl)benzene

• 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).
• 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	0.3310		Relay (1.0) Calculated Property
ΔfG°	160.80	kJ/mol	Joback Calculated Property
ΔfH°gas	37.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.85	kJ/mol	Joback Calculated Property
ΔvapH°	57.70	kJ/mol	Relay (1.0) Calculated Property
IE	[8.00; 8.45]	eV
IE	8.00	eV	NIST
IE	8.45	eV	NIST
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.107		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Pc	3269.04	kPa	Joback Calculated Property
Tboil	501.58	K	Relay (1.0) Calculated Property
Tc	692.81	K	Relay (1.0) Calculated Property
Tfus	270.03	K	Relay (1.0) Calculated Property
Vc	0.470	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.45; 337.56]	J/mol×K	[505.76; 737.59]
Cp,gas	265.45	J/mol×K	505.76	Joback Calculated Property
Cp,gas	279.46	J/mol×K	544.40	Joback Calculated Property
Cp,gas	292.64	J/mol×K	583.04	Joback Calculated Property
Cp,gas	305.01	J/mol×K	621.68	Joback Calculated Property
Cp,gas	316.61	J/mol×K	660.32	Joback Calculated Property
Cp,gas	327.45	J/mol×K	698.95	Joback Calculated Property
Cp,gas	337.56	J/mol×K	737.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(ethylthio)-4-methyl-.

Sources

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

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