Chemical Properties of Methiocarb (CAS 2032-65-7)

InChI

InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)

InChI Key

YFBPRJGDJKVWAH-UHFFFAOYSA-N

Formula

C11H15NO2S

SMILES

CNC(=O)Oc1cc(C)c(SC)c(C)c1

Molecular Weight¹

225.31

CAS

2032-65-7

Other Names

• (3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate
• 3,5-Dimethyl-4-(Methylthio)phenyl methylcarbamate
• 3,5-Dimethyl-4-(methylthio)phenol methylcarbamate
• 3,5-Dimethyl-4-methyl-thiophenyl-N-carbamat
• 3,5-Dimethyl-4-methylthiophenyl N-methylcarbamate
• 3,5-Xylenol, 4-(methylthio)-, methylcarbamate
• 4-(Methylthio)-3,5-dimethylphenyl methylcarbamate
• 4-(Methylthio)-3,5-xylyl methylcarbamate
• 4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamate
• 4-Methylmercapto-3,5-xylyl methylcarbamate
• B 37344
• BAY 37344
• BAY 5024
• BAY 9026
• BAYER 37344
• Carbamic acid, 3,5-dimethyl-4-methylthiophenyl ester, N-methyl
• Carbamic acid, N-methyl-, 4-(methylthio)-3,5-xylyl ester
• Carbamic acid, methyl-, 3,5-dimethyl-4-(methylthio)phenyl ester
• Carbamic acid, methyl-, 4-(methylthio)-3,5-xylyl ester
• Club
• DCR 736
• Draza
• ENT 25,726
• H 321
• Mercaptodimethur
• Mesurol
• Mesurol phenol
• Methiocarbe
• Methyl carbamic acid 4-(methylthio)-3,5-xylyl ester
• Metmercapturan
• Metmercapturon
• OMS-93
• Phenol, 3,5-dimethyl-4-(methylthio)-, methylcarbamate
• Phenyl-3,5-dimethyl-4-(methylthio)-, methylcarbamate
• SD 9228

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.72	kJ/mol	Joback Calculated Property
log10WS	-3.92		Aq. Solubility Prediction
logPoct/wat	2.744		Crippen Calculated Property
McVol	175.860	ml/mol	McGowan Calculated Property
Inp	[1915.00; 1956.00]
Inp	1915.00		NIST
Inp	1956.00		NIST
Tfus	[394.44; 394.80]	K
Tfus	394.44 ± 0.20	K	NIST
Tfus	394.80 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.50; 510.71]	J/mol×K	[670.07; 896.25]
Cp,gas	442.50	J/mol×K	670.07	Joback Calculated Property
Cp,gas	456.19	J/mol×K	707.77	Joback Calculated Property
Cp,gas	468.95	J/mol×K	745.46	Joback Calculated Property
Cp,gas	480.79	J/mol×K	783.16	Joback Calculated Property
Cp,gas	491.69	J/mol×K	820.86	Joback Calculated Property
Cp,gas	501.67	J/mol×K	858.55	Joback Calculated Property
Cp,gas	510.71	J/mol×K	896.25	Joback Calculated Property
ΔfusH	[30.36; 30.36]	kJ/mol	[393.80; 393.80]
ΔfusH	30.36	kJ/mol	393.80	NIST
ΔfusH	30.36	kJ/mol	393.80	NIST

Similar Compounds

Find more compounds similar to Methiocarb.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.