Chemical Properties of trans-1-Carbethoxy-2-phenylcyclopropane (CAS 946-39-4)

InChI

InChI=1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1

InChI Key

SRGUIJLJERBBCM-WDEREUQCSA-N

Formula

C12H14O2

SMILES

CCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

190.24

CAS

946-39-4

Other Names

• trans-2-Phenylcyclopropanecarboxylic acid ethyl ester
• Ethyl trans-2-phenylcyclopropanecarboxylate
• Cyclopropanecarboxylic acid, 2-phenyl-, ethyl ester, trans-
• Cyclopropanecarboxylic acid, 2-phenyl-, ethyl ester, (1R,2R)-rel-
• 1R,2R)-rel-2-Phenylcyclopropanecarboxylic acid ethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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

Cheméo can also estimate Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.95; 514.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.08190e+01
Coefficient B			1.13452e+00
Coefficient C			-7.30400e-04
Coefficient D			1.71100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.95	J/mol×K	273.00	Calculated Property
Cp,gas	256.71	J/mol×K	353.78	Calculated Property
Cp,gas	308.31	J/mol×K	434.56	Calculated Property
Cp,gas	353.28	J/mol×K	515.33	Calculated Property
Cp,gas	392.18	J/mol×K	596.11	Calculated Property
Cp,gas	425.54	J/mol×K	676.89	Calculated Property
Cp,gas	453.90	J/mol×K	757.67	Calculated Property
Cp,gas	477.80	J/mol×K	838.44	Calculated Property
Cp,gas	497.79	J/mol×K	919.22	Calculated Property
Cp,gas	514.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021250; 0.0004455]	Pa×s	[307.45; 545.81]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.73170e+00
Coefficient B			1.09997e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			307.45
Temperature range, max.			545.81
η	0.0021250	Pa×s	307.45	Calculated Property
η	0.0016000	Pa×s	333.93	Calculated Property
η	0.0012561	Pa×s	360.42	Calculated Property
η	0.0010192	Pa×s	386.90	Calculated Property
η	0.0008495	Pa×s	413.39	Calculated Property
η	0.0007238	Pa×s	439.87	Calculated Property
η	0.0006279	Pa×s	466.36	Calculated Property
η	0.0005532	Pa×s	492.84	Calculated Property
η	0.0004937	Pa×s	519.32	Calculated Property
η	0.0004455	Pa×s	545.81	Calculated Property

Similar Compounds

Find more compounds similar to trans-1-Carbethoxy-2-phenylcyclopropane.

Sources

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

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