Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, naphth-2-yl ester

InChI

InChI=1S/C20H16O2/c21-20(19-13-18(19)15-7-2-1-3-8-15)22-17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19H,13H2

InChI Key

MMVXWBSBJVZZLD-UHFFFAOYSA-N

Formula

C20H16O2

SMILES

O=C(Oc1ccc2ccccc2c1)C1CC1c1ccccc1

Molecular Weight¹

288.34

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.84	kJ/mol	Joback Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
logPoct/wat	4.549		Crippen Calculated Property
McVol	222.260	ml/mol	McGowan Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tfus	375.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[271.96; 714.78]	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			-1.19140e+02
Coefficient B			1.75240e+00
Coefficient C			-1.26648e-03
Coefficient D			3.48000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.96	J/mol×K	273.00	Calculated Property
Cp,gas	357.72	J/mol×K	353.78	Calculated Property
Cp,gas	431.77	J/mol×K	434.56	Calculated Property
Cp,gas	495.22	J/mol×K	515.33	Calculated Property
Cp,gas	549.16	J/mol×K	596.11	Calculated Property
Cp,gas	594.69	J/mol×K	676.89	Calculated Property
Cp,gas	632.92	J/mol×K	757.67	Calculated Property
Cp,gas	664.95	J/mol×K	838.44	Calculated Property
Cp,gas	691.86	J/mol×K	919.22	Calculated Property
Cp,gas	714.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018389; 0.0005624]	Pa×s	[469.25; 734.89]	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			-9.57584e+00
Coefficient B			1.53785e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.25
Temperature range, max.			734.89
η	0.0018389	Pa×s	469.25	Calculated Property
η	0.0015147	Pa×s	498.77	Calculated Property
η	0.0012750	Pa×s	528.28	Calculated Property
η	0.0010930	Pa×s	557.80	Calculated Property
η	0.0009516	Pa×s	587.31	Calculated Property
η	0.0008395	Pa×s	616.83	Calculated Property
η	0.0007492	Pa×s	646.34	Calculated Property
η	0.0006752	Pa×s	675.86	Calculated Property
η	0.0006139	Pa×s	705.37	Calculated Property
η	0.0005624	Pa×s	734.89	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, naphth-2-yl 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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