Chemical Properties of Cyclopropane-1-carboxylic acid, 2-methoxymethyl-3-phenyl, ethyl ester

InChI

InChI=1S/C14H18O3/c1-3-17-14(15)13-11(9-16-2)12(13)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3

InChI Key

XTXDOAAMPZLWCV-UHFFFAOYSA-N

Formula

C14H18O3

SMILES

CCOC(=O)C1C(COC)C1c1ccccc1

Molecular Weight¹

234.29

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.05; 642.74]	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			-3.11980e+01
Coefficient B			1.23484e+00
Coefficient C			-6.72800e-04
Coefficient D			1.11900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.05	J/mol×K	273.00	Calculated Property
Cp,gas	326.41	J/mol×K	353.78	Calculated Property
Cp,gas	387.54	J/mol×K	434.56	Calculated Property
Cp,gas	441.80	J/mol×K	515.33	Calculated Property
Cp,gas	489.53	J/mol×K	596.11	Calculated Property
Cp,gas	531.09	J/mol×K	676.89	Calculated Property
Cp,gas	566.84	J/mol×K	757.67	Calculated Property
Cp,gas	597.13	J/mol×K	838.44	Calculated Property
Cp,gas	622.31	J/mol×K	919.22	Calculated Property
Cp,gas	642.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016009; 0.0004156]	Pa×s	[347.98; 583.49]	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			-9.77842e+00
Coefficient B			1.16269e+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.			347.98
Temperature range, max.			583.49
η	0.0016009	Pa×s	347.98	Calculated Property
η	0.0012673	Pa×s	374.15	Calculated Property
η	0.0010343	Pa×s	400.32	Calculated Property
η	0.0008655	Pa×s	426.48	Calculated Property
η	0.0007393	Pa×s	452.65	Calculated Property
η	0.0006425	Pa×s	478.82	Calculated Property
η	0.0005665	Pa×s	504.99	Calculated Property
η	0.0005058	Pa×s	531.16	Calculated Property
η	0.0004564	Pa×s	557.33	Calculated Property
η	0.0004156	Pa×s	583.49	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane-1-carboxylic acid, 2-methoxymethyl-3-phenyl, ethyl ester.

Sources

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

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