Chemical Properties of Methoxymethyl isothiocyanate (CAS 19900-84-6)

InChI

InChI=1S/C3H5NOS/c1-5-2-4-3-6/h2H2,1H3

InChI Key

SWHVODLGSMJMND-UHFFFAOYSA-N

Formula

C3H5NOS

SMILES

COCN=C=S

Molecular Weight¹

103.14

CAS

19900-84-6

Other Names

• Methane, isothiocyanatomethoxy-

• 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 : 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	46.60	kJ/mol	Joback Calculated Property
ΔvapH°	35.12	kJ/mol	Joback Calculated Property
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	0.693		Crippen Calculated Property
McVol	76.730	ml/mol	McGowan Calculated Property
Pc	4438.52	kPa	Joback Calculated Property
I	[1533.00; 1533.00]
I	1533.00		NIST
I	1533.00		NIST
Tboil	436.41	K	Joback Calculated Property
Tc	658.64	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methoxymethyl isothiocyanate.

Sources

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

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