Chemical Properties of N-Phenethyl O-methyl thiocarbamate (CAS 930585-96-9)

InChI

InChI=1S/C10H13NOS/c1-12-10(13)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,13)

InChI Key

SABSUMPVZBKPRQ-UHFFFAOYSA-N

Formula

C10H13NOS

SMILES

COC(S)=NCCc1ccccc1

Molecular Weight¹

195.28

CAS

930585-96-9

• Δ_fH°_gas : Enthalpy of formation 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-34.51	kJ/mol	Joback Calculated Property
ΔvapH°	52.67	kJ/mol	Joback Calculated Property
log10WS	-2.43		Crippen Calculated Property
logPoct/wat	2.161		Crippen Calculated Property
McVol	155.900	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Inp	[1703.00; 1726.90]
Inp	1726.90		NIST
Inp	1703.00		NIST
I	2827.00		NIST
Tboil	616.72	K	Joback Calculated Property
Tc	861.88	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Phenethyl O-methyl thiocarbamate.

Sources

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

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