Chemical Properties of 2,5-Dimethylbenzenethiol, S-acetyl-

InChI

InChI=1S/C10H12OS/c1-7-4-5-8(2)10(6-7)12-9(3)11/h4-6H,1-3H3

InChI Key

LVKOQSOXLKVJMZ-UHFFFAOYSA-N

Formula

C10H12OS

SMILES

CC(=O)Sc1cc(C)ccc1C

Molecular Weight¹

180.27

• 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°	30.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.85	kJ/mol	Joback Calculated Property
ΔfusH°	20.65	kJ/mol	Joback Calculated Property
ΔvapH°	55.02	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	2.942		Crippen Calculated Property
McVol	145.920	ml/mol	McGowan Calculated Property
Pc	3096.73	kPa	Joback Calculated Property
Inp	[1438.90; 1438.90]
Inp	1438.90		NIST
Inp	1438.90		NIST
Tboil	587.49	K	Joback Calculated Property
Tc	824.42	K	Joback Calculated Property
Tfus	338.25	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.62; 393.62]	J/mol×K	[587.49; 824.42]
Cp,gas	325.62	J/mol×K	587.49	Joback Calculated Property
Cp,gas	339.00	J/mol×K	626.98	Joback Calculated Property
Cp,gas	351.54	J/mol×K	666.47	Joback Calculated Property
Cp,gas	363.26	J/mol×K	705.96	Joback Calculated Property
Cp,gas	374.16	J/mol×K	745.45	Joback Calculated Property
Cp,gas	384.28	J/mol×K	784.94	Joback Calculated Property
Cp,gas	393.62	J/mol×K	824.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethylbenzenethiol, S-acetyl-.

Sources

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

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