Chemical Properties of Benzaldehyde, p-methoxythio- (CAS 25332-53-0)

InChI

InChI=1S/C8H8OS/c1-9-8-4-2-7(6-10)3-5-8/h2-6H,1H3

InChI Key

PSCGHQRKTJYCJO-UHFFFAOYSA-N

Formula

C8H8OS

SMILES

COc1ccc(C=S)cc1

Molecular Weight¹

152.21

CAS

25332-53-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.88; 324.16]	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			-6.39000e+00
Coefficient B			6.69710e-01
Coefficient C			-4.73660e-04
Coefficient D			1.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.88	J/mol×K	273.00	Calculated Property
Cp,gas	177.21	J/mol×K	353.78	Calculated Property
Cp,gas	206.23	J/mol×K	434.56	Calculated Property
Cp,gas	231.35	J/mol×K	515.33	Calculated Property
Cp,gas	253.01	J/mol×K	596.11	Calculated Property
Cp,gas	271.62	J/mol×K	676.89	Calculated Property
Cp,gas	287.62	J/mol×K	757.67	Calculated Property
Cp,gas	301.42	J/mol×K	838.44	Calculated Property
Cp,gas	313.46	J/mol×K	919.22	Calculated Property
Cp,gas	324.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, p-methoxythio-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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