Chemical Properties of Ethanol, 2-[(4-nitrophenyl)thio]- (CAS 13287-76-8)

InChI

InChI=1S/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2

InChI Key

RVYZERYSWJUUJY-UHFFFAOYSA-N

Formula

C8H9NO3S

SMILES

O=[N+]([O-])c1ccc(SCCO)cc1

Molecular Weight¹

199.23

CAS

13287-76-8

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.43; 397.53]	J/mol×K	[726.90; 965.99]
Cp,gas	352.43	J/mol×K	726.90	Joback Calculated Property
Cp,gas	361.78	J/mol×K	766.75	Joback Calculated Property
Cp,gas	370.36	J/mol×K	806.60	Joback Calculated Property
Cp,gas	378.18	J/mol×K	846.44	Joback Calculated Property
Cp,gas	385.30	J/mol×K	886.29	Joback Calculated Property
Cp,gas	391.74	J/mol×K	926.14	Joback Calculated Property
Cp,gas	397.53	J/mol×K	965.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-[(4-nitrophenyl)thio]-.

Sources

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

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