Chemical Properties of N-Benzyl O-ethyl thiocarbamate (CAS 55365-86-1)

InChI

InChI=1S/C10H13NOS/c1-2-12-10(13)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,13)

InChI Key

DOQOZLJUQOFXET-UHFFFAOYSA-N

Formula

C10H13NOS

SMILES

CCOC(=S)NCc1ccccc1

Molecular Weight¹

195.28

CAS

55365-86-1

• ω : Acentric Factor.
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• 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
ω	0.4887		Relay (1.0) Calculated Property
ΔfG°	247.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.59	kJ/mol	Joback Calculated Property
ΔvapH°	87.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.72		Relay (1.0) Calculated Property
logPoct/wat	2.098		Crippen Calculated Property
McVol	155.900	ml/mol	McGowan Calculated Property
Pc	3231.98	kPa	Joback Calculated Property
Inp	[1687.00; 1687.00]
Inp	1687.00		NIST
Inp	1687.00		NIST
I	2784.00		NIST
Tboil	561.26	K	Relay (1.0) Calculated Property
Tc	777.51	K	Relay (1.0) Calculated Property
Tfus	301.58	K	Relay (1.0) Calculated Property
Vc	0.540	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.95; 430.98]	J/mol×K	[597.51; 825.82]
Cp,gas	362.95	J/mol×K	597.51	Joback Calculated Property
Cp,gas	376.44	J/mol×K	635.56	Joback Calculated Property
Cp,gas	388.99	J/mol×K	673.61	Joback Calculated Property
Cp,gas	400.65	J/mol×K	711.66	Joback Calculated Property
Cp,gas	411.50	J/mol×K	749.72	Joback Calculated Property
Cp,gas	421.59	J/mol×K	787.77	Joback Calculated Property
Cp,gas	430.98	J/mol×K	825.82	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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