Chemical Properties of Benzene, (propylthio)- (CAS 874-79-3)

InChI

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

InChI Key

NWYDLOBJQIJDGH-UHFFFAOYSA-N

Formula

C9H12S

SMILES

CCCSc1ccccc1

Molecular Weight¹

152.26

CAS

874-79-3

Other Names

• (1-Thiabutyl)benzene
• (Propylthio)benzene
• Fenyl-propylsulfid
• NSC 115079
• Phenyl propyl sulfide
• Propyl phenyl sulfide
• Sulfide, phenyl propyl
• n-Propyl phenyl sulfide

• 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).
• 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).
• P_vap : Vapor 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
ΔfG°	170.43	kJ/mol	Joback Calculated Property
ΔfH°gas	49.31	kJ/mol	Joback Calculated Property
ΔfusH°	17.24	kJ/mol	Joback Calculated Property
ΔvapH°	44.72	kJ/mol	Joback Calculated Property
IE	7.81 ± 0.03	eV	NIST
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.189		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Pc	3325.84	kPa	Joback Calculated Property
Inp	[1252.00; 1252.00]
Inp	1252.00		NIST
Inp	1252.00		NIST
Inp	1252.00		NIST
Tboil	[491.00; 492.70]	K
Tboil	492.70	K	NIST
Tboil	491.00 ± 6.00	K	NIST
Tc	731.34	K	Joback Calculated Property
Tfus	252.01	K	Joback Calculated Property
Vc	0.485	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.38; 339.05]	J/mol×K	[500.78; 731.34]
Cp,gas	265.38	J/mol×K	500.78	Joback Calculated Property
Cp,gas	279.81	J/mol×K	539.21	Joback Calculated Property
Cp,gas	293.33	J/mol×K	577.63	Joback Calculated Property
Cp,gas	305.99	J/mol×K	616.06	Joback Calculated Property
Cp,gas	317.80	J/mol×K	654.48	Joback Calculated Property
Cp,gas	328.81	J/mol×K	692.91	Joback Calculated Property
Cp,gas	339.05	J/mol×K	731.34	Joback Calculated Property
ΔvapH	44.30	kJ/mol	488.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[366.24; 523.93]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45598e+01
Coefficient B			-4.14312e+03
Coefficient C			-7.59500e+01
Temperature range, min.			366.24
Temperature range, max.			523.93
Pvap	1.33	kPa	366.24	Calculated Property
Pvap	3.00	kPa	383.76	Calculated Property
Pvap	6.20	kPa	401.28	Calculated Property
Pvap	11.89	kPa	418.80	Calculated Property
Pvap	21.39	kPa	436.32	Calculated Property
Pvap	36.46	kPa	453.85	Calculated Property
Pvap	59.26	kPa	471.37	Calculated Property
Pvap	92.44	kPa	488.89	Calculated Property
Pvap	139.06	kPa	506.41	Calculated Property
Pvap	202.63	kPa	523.93	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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