Chemical Properties of N-Benzyl O-propyl thiocarbamate

InChI

InChI=1S/C11H15NOS/c1-2-8-13-11(14)12-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,14)

InChI Key

KTOIPILWYSRXQY-UHFFFAOYSA-N

Formula

C11H15NOS

SMILES

CCCOC(S)=NCc1ccccc1

Molecular Weight¹

209.31

• 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	-55.15	kJ/mol	Joback Calculated Property
ΔvapH°	54.90	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.899		Crippen Calculated Property
McVol	169.990	ml/mol	McGowan Calculated Property
Pc	2510.03	kPa	Joback Calculated Property
Inp	[1784.00; 1784.00]
Inp	1784.00		NIST
Inp	1784.00		NIST
I	[2868.00; 2868.00]
I	2868.00		NIST
I	2868.00		NIST
Tboil	639.60	K	Joback Calculated Property
Tc	879.51	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Benzyl O-propyl thiocarbamate.

Sources

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

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