Chemical Properties of Benzenepropanethiol (CAS 24734-68-7)

InChI

InChI=1S/C9H12S/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChI Key

IUSDGVJFDZRIBR-UHFFFAOYSA-N

Formula

C9H12S

SMILES

SCCCc1ccccc1

Molecular Weight¹

152.26

CAS

24734-68-7

Other Names

• 1-Propanethiol, 3-phenyl-
• 3-Phenyl-1-propanethiol
• 3-Phenylpropanethiol
• 3-Phenylpropyl mercaptan
• 3-Phenylpropylthiol
• 3-phenylpropane-1-thiol
• «gamma»-Phenylpropyl mercaptan

• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.93; 390.49]	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			-2.43070e+01
Coefficient B			8.07200e-01
Coefficient C			-5.19400e-04
Coefficient D			1.27000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.93	J/mol×K	273.00	Calculated Property
Cp,gas	201.88	J/mol×K	353.78	Calculated Property
Cp,gas	238.81	J/mol×K	434.56	Calculated Property
Cp,gas	271.11	J/mol×K	515.33	Calculated Property
Cp,gas	299.21	J/mol×K	596.11	Calculated Property
Cp,gas	323.49	J/mol×K	676.89	Calculated Property
Cp,gas	344.35	J/mol×K	757.67	Calculated Property
Cp,gas	362.21	J/mol×K	838.44	Calculated Property
Cp,gas	377.45	J/mol×K	919.22	Calculated Property
Cp,gas	390.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[374.71; 541.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41756e+01
Coefficient B			-4.08257e+03
Coefficient C			-8.07430e+01
Temperature range, min.			374.71
Temperature range, max.			541.31
Pvap	1.33	kPa	374.71	Calculated Property
Pvap	3.04	kPa	393.22	Calculated Property
Pvap	6.30	kPa	411.73	Calculated Property
Pvap	12.12	kPa	430.24	Calculated Property
Pvap	21.80	kPa	448.75	Calculated Property
Pvap	37.09	kPa	467.27	Calculated Property
Pvap	60.10	kPa	485.78	Calculated Property
Pvap	93.37	kPa	504.29	Calculated Property
Pvap	139.80	kPa	522.80	Calculated Property
Pvap	202.63	kPa	541.31	Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanethiol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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