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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5751		Relay (1.0) Calculated Property
ΔfusH°	28.99	kJ/mol	Joback Calculated Property
ΔvapH°	84.73	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	2495.01	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	790.91	K	Relay (1.0) Calculated Property
Tfus	276.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.85; 547.31]	J/mol×K	[601.12; 812.91]
Cp,gas	460.85	J/mol×K	601.12	Joback Calculated Property
Cp,gas	478.02	J/mol×K	636.42	Joback Calculated Property
Cp,gas	494.00	J/mol×K	671.72	Joback Calculated Property
Cp,gas	508.85	J/mol×K	707.02	Joback Calculated Property
Cp,gas	522.64	J/mol×K	742.31	Joback Calculated Property
Cp,gas	535.44	J/mol×K	777.61	Joback Calculated Property
Cp,gas	547.31	J/mol×K	812.91	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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