Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 4-benzyloxyphenyl ester

InChI

InChI=1S/C23H20O3/c24-23(22-15-21(22)18-9-5-2-6-10-18)26-20-13-11-19(12-14-20)25-16-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2

InChI Key

UXCUMQHSHUJPBT-UHFFFAOYSA-N

Formula

C23H20O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)C1CC1c1ccccc1

Molecular Weight¹

344.40

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.82	kJ/mol	Joback Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
logPoct/wat	4.975		Crippen Calculated Property
McVol	266.100	ml/mol	McGowan Calculated Property
Inp	[2908.00; 2908.00]
Inp	2908.00		NIST
Inp	2908.00		NIST
Tboil	696.21	K	Relay (1.0) Calculated Property
Tfus	364.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[334.74; 860.31]	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			-9.88290e+01
Coefficient B			1.89900e+00
Coefficient C			-1.21316e-03
Coefficient D			2.73300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.74	J/mol×K	273.00	Calculated Property
Cp,gas	433.26	J/mol×K	353.78	Calculated Property
Cp,gas	519.73	J/mol×K	434.56	Calculated Property
Cp,gas	595.01	J/mol×K	515.33	Calculated Property
Cp,gas	659.98	J/mol×K	596.11	Calculated Property
Cp,gas	715.50	J/mol×K	676.89	Calculated Property
Cp,gas	762.43	J/mol×K	757.67	Calculated Property
Cp,gas	801.63	J/mol×K	838.44	Calculated Property
Cp,gas	833.97	J/mol×K	919.22	Calculated Property
Cp,gas	860.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009056; 0.0001930]	Pa×s	[519.01; 802.10]	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			-1.13872e+01
Coefficient B			2.27340e+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.			519.01
Temperature range, max.			802.10
η	0.0009056	Pa×s	519.01	Calculated Property
η	0.0007051	Pa×s	550.46	Calculated Property
η	0.0005640	Pa×s	581.92	Calculated Property
η	0.0004616	Pa×s	613.37	Calculated Property
η	0.0003853	Pa×s	644.83	Calculated Property
η	0.0003270	Pa×s	676.28	Calculated Property
η	0.0002816	Pa×s	707.74	Calculated Property
η	0.0002456	Pa×s	739.19	Calculated Property
η	0.0002167	Pa×s	770.65	Calculated Property
η	0.0001930	Pa×s	802.10	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 4-benzyloxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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