Chemical Properties of Thiamphenicol

InChI

InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)

InChI Key

OTVAEFIXJLOWRX-UHFFFAOYSA-N

Formula

C12H15Cl2NO5S

SMILES

CS(=O)(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1

Molecular Weight¹

356.23

Other Names

• 2,2-dichloro-N-[1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide

• 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

Property	Value	Unit	Source
ΔfG°	-659.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.19	kJ/mol	Joback Calculated Property
ΔfusH°	44.56	kJ/mol	Joback Calculated Property
ΔvapH°	118.02	kJ/mol	Joback Calculated Property
log10WS	[-2.15; -2.15]
log10WS	-2.15		Aq. Sol...
log10WS	-2.15		Estimat...
logPoct/wat	0.404		Crippen Calculated Property
McVol	232.040	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Tboil	915.34	K	Joback Calculated Property
Tc	1125.88	K	Joback Calculated Property
Tfus	438.30	K	Aq. Sol...
Vc	0.884	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[650.63; 683.43]	J/mol×K	[915.34; 1125.88]
Cp,gas	650.63	J/mol×K	915.34	Joback Calculated Property
Cp,gas	658.25	J/mol×K	950.43	Joback Calculated Property
Cp,gas	664.97	J/mol×K	985.52	Joback Calculated Property
Cp,gas	670.82	J/mol×K	1020.61	Joback Calculated Property
Cp,gas	675.83	J/mol×K	1055.70	Joback Calculated Property
Cp,gas	680.03	J/mol×K	1090.79	Joback Calculated Property
Cp,gas	683.43	J/mol×K	1125.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiamphenicol.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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