Chemical Properties of Encyprate (CAS 2521-01-9)

InChI

InChI=1S/C13H17NO2/c1-2-16-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

InChI Key

OGXBVBBMMWSZJO-UHFFFAOYSA-N

Formula

C13H17NO2

SMILES

CCOC(=O)N(Cc1ccccc1)C1CC1

Molecular Weight¹

219.28

CAS

2521-01-9

Other Names

• Carbamic acid, cyclopropyl(phenylmethyl)-, ethyl ester
• Cyclopropanecarbamic acid, N-benzyl-, ethyl ester
• A 19757
• Encyprat
• Ethyl N-Benzyl-N-cyclopropylcarbamate
• MO 1255
• Ethyl N-benzylcyclopropanecarbamate
• N-Carbethoxy-N-benzyl-cyclopropylamine
• Ethyl benzyl(cyclopropyl)carbamate
• NSC 169504
• NSC 43799

• 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	0.5751		Relay (1.0) Calculated Property
ΔfG°	108.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-276.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.41	kJ/mol	Joback Calculated Property
ΔvapH°	83.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	2.808		Crippen Calculated Property
McVol	176.830	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	[1582.00; 1591.00]
Inp	1582.00		NIST
Inp	1586.00		NIST
Inp	1591.00		NIST
Inp	1582.00		NIST
I	[2246.00; 2273.00]
I	2246.00		NIST
I	2261.00		NIST
I	2273.00		NIST
Tboil	581.52	K	Relay (1.0) Calculated Property
Tc	788.46	K	Relay (1.0) Calculated Property
Tfus	280.19	K	Relay (1.0) Calculated Property
Vc	0.656	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.46; 551.24]	J/mol×K	[618.99; 832.93]
Cp,gas	466.46	J/mol×K	618.99	Joback Calculated Property
Cp,gas	483.19	J/mol×K	654.65	Joback Calculated Property
Cp,gas	498.79	J/mol×K	690.30	Joback Calculated Property
Cp,gas	513.32	J/mol×K	725.96	Joback Calculated Property
Cp,gas	526.87	J/mol×K	761.62	Joback Calculated Property
Cp,gas	539.48	J/mol×K	797.27	Joback Calculated Property
Cp,gas	551.24	J/mol×K	832.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Encyprate.

Sources

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

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