Chemical Properties of Benzene, (ethylthio)-

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

138.24

Other Names

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

• 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	0.2665		Relay (1.0) Calculated Property
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	-3.26		Relay (1.0) 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	683.69	K	Relay (1.0) Calculated Property
Tfus	240.34	K	Relay (1.0) Calculated Property
Vc	0.414	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.44; 340.12]	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			-1.86890e+01
Coefficient B			6.79310e-01
Coefficient C			-4.02400e-04
Coefficient D			8.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.44	J/mol×K	273.00	Calculated Property
Cp,gas	174.90	J/mol×K	353.78	Calculated Property
Cp,gas	207.24	J/mol×K	434.56	Calculated Property
Cp,gas	235.73	J/mol×K	515.33	Calculated Property
Cp,gas	260.61	J/mol×K	596.11	Calculated Property
Cp,gas	282.16	J/mol×K	676.89	Calculated Property
Cp,gas	300.62	J/mol×K	757.67	Calculated Property
Cp,gas	316.27	J/mol×K	838.44	Calculated Property
Cp,gas	329.35	J/mol×K	919.22	Calculated Property
Cp,gas	340.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.