Chemical Properties of Butylthiobenzene (CAS 1126-80-3)

InChI

InChI=1S/C10H14S/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChI Key

JETFNRIIPBNRAT-UHFFFAOYSA-N

Formula

C10H14S

SMILES

CCCCSc1ccccc1

Molecular Weight¹

166.28

CAS

1126-80-3

Other Names

• Benzene, (butylthio)-
• Sulfide, butyl phenyl
• Butyl phenyl sulfide
• Phenyl butyl sulfide
• (n-Butylthio)benzene
• (1-Thiapentyl)benzene
• n-Butyl phenyl sulfide
• Benzenethiol, S-n-butyl-

• 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).
• 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
ΔfG°	178.85	kJ/mol	Joback Calculated Property
ΔfH°gas	28.67	kJ/mol	Joback Calculated Property
ΔfusH°	19.83	kJ/mol	Joback Calculated Property
ΔvapH°	46.95	kJ/mol	Joback Calculated Property
log10WS	-3.47		Crippen Calculated Property
logPoct/wat	3.579		Crippen Calculated Property
McVol	144.350	ml/mol	McGowan Calculated Property
Pc	2986.06	kPa	Joback Calculated Property
Inp	[1346.00; 1346.00]
Inp	1346.00		NIST
Inp	1346.00		NIST
Tboil	523.66	K	Joback Calculated Property
Tc	750.09	K	Joback Calculated Property
Tfus	263.28	K	Joback Calculated Property
Vc	0.541	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.71; 388.54]	J/mol×K	[523.66; 750.09]
Cp,gas	309.71	J/mol×K	523.66	Joback Calculated Property
Cp,gas	325.11	J/mol×K	561.40	Joback Calculated Property
Cp,gas	339.56	J/mol×K	599.14	Joback Calculated Property
Cp,gas	353.09	J/mol×K	636.88	Joback Calculated Property
Cp,gas	365.75	J/mol×K	674.62	Joback Calculated Property
Cp,gas	377.55	J/mol×K	712.35	Joback Calculated Property
Cp,gas	388.54	J/mol×K	750.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butylthiobenzene.

Sources

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

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