Chemical Properties of Carboxin (CAS 5234-68-4)

InChI

InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

InChI Key

GYSSRZJIHXQEHQ-UHFFFAOYSA-N

Formula

C12H13NO2S

SMILES

CC1=C(C(=O)Nc2ccccc2)SCCO1

Molecular Weight¹

235.30

CAS

5234-68-4

Other Names

• 1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-
• 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
• 1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-
• 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
• 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide
• 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
• 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin
• 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
• 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxanilide (carboxin)
• 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin
• Carbathiin
• Carboxine
• D 735
• DCMO
• DMOC
• F 735
• Flo pro v seed protectant
• Kemikar
• Kisvax
• NSC 263492
• Oxatin
• V 4X
• Vitaflo 250
• Vitavax
• Vitavax 100
• Vitavax 735D
• Vitavax 75W

• 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_fusH : Enthalpy of fusion at a given temperature (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°	119.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-90.83	kJ/mol	Joback Calculated Property
ΔfusH°	30.42	kJ/mol	Joback Calculated Property
ΔvapH°	70.44	kJ/mol	Joback Calculated Property
log10WS	[-3.14; -3.14]
log10WS	-3.14		Aq. Sol...
log10WS	-3.14		Estimat...
logPoct/wat	2.620		Crippen Calculated Property
McVol	174.790	ml/mol	McGowan Calculated Property
Pc	3325.84	kPa	Joback Calculated Property
Inp	[2211.00; 2211.00]
Inp	2211.00		NIST
Inp	2211.00		NIST
Inp	2211.00		NIST
Tboil	712.80	K	Joback Calculated Property
Tc	969.26	K	Joback Calculated Property
Tfus	[364.64; 371.00]	K
Tfus	364.65	K	Aq. Sol...
Tfus	364.64 ± 0.20	K	NIST
Tfus	371.00 ± 0.20	K	NIST
Vc	0.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.80; 526.88]	J/mol×K	[712.80; 969.26]
Cp,gas	457.80	J/mol×K	712.80	Joback Calculated Property
Cp,gas	472.21	J/mol×K	755.54	Joback Calculated Property
Cp,gas	485.36	J/mol×K	798.29	Joback Calculated Property
Cp,gas	497.34	J/mol×K	841.03	Joback Calculated Property
Cp,gas	508.20	J/mol×K	883.77	Joback Calculated Property
Cp,gas	518.02	J/mol×K	926.51	Joback Calculated Property
Cp,gas	526.88	J/mol×K	969.26	Joback Calculated Property
ΔfusH	28.19	kJ/mol	229.50	NIST

Similar Compounds

Find more compounds similar to Carboxin.

Sources

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

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