Chemical Properties of Benzene, (ethylthio)- (CAS 622-38-8)

InChI

InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key

AEHWKBXBXYNPCX-UHFFFAOYSA-N

Formula

C8H10S

SMILES

CCSc1ccccc1

Molecular Weight¹

138.23

CAS

622-38-8

Other Names

• Sulfide, ethyl phenyl
• (Ethylthio)benzene
• (Phenylthio)ethane
• Ethyl phenyl sulfide
• Phenyl ethyl sulfide
• Thiophenetole
• Ethyl phenyl sulphide
• (1-Thiapropyl)benzene
• NSC 75124

• 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
ΔcH°liquid	-5201.00 ± 1.50	kJ/mol	NIST
ΔfG°	162.01	kJ/mol	Joback Calculated Property
ΔfH°gas	77.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	21.90 ± 1.50	kJ/mol	NIST
ΔfusH°	14.65	kJ/mol	Joback Calculated Property
ΔvapH°	[55.00; 56.40]	kJ/mol
ΔvapH°	56.40	kJ/mol	NIST
ΔvapH°	55.00 ± 2.00	kJ/mol	NIST
ΔvapH°	55.10	kJ/mol	NIST
IE	[7.88; 8.80]	eV
IE	7.88 ± 0.02	eV	NIST
IE	8.80	eV	NIST
IE	8.00	eV	NIST
IE	8.53	eV	NIST
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.799		Crippen Calculated Property
McVol	116.170	ml/mol	McGowan Calculated Property
Pc	3727.11	kPa	Joback Calculated Property
Inp	[1160.00; 1160.00]
Inp	1160.00		NIST
Inp	1160.00		NIST
Tboil	478.20	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	[50.90; 53.60]	kJ/mol	[340.50; 407.50]
ΔvapH	53.60 ± 2.10	kJ/mol	340.50	NIST
ΔvapH	50.90	kJ/mol	352.50	NIST
ΔvapH	51.70	kJ/mol	407.50	NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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