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

InChI

InChI=1S/C21H18O2/c22-21(20-13-19(20)17-7-2-1-3-8-17)23-14-15-10-11-16-6-4-5-9-18(16)12-15/h1-12,19-20H,13-14H2

InChI Key

RANFTECVFQGXMF-UHFFFAOYSA-N

Formula

C21H18O2

SMILES

O=C(OCc1ccc2ccccc2c1)C1CC1c1ccccc1

Molecular Weight¹

302.37

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.43	kJ/mol	Joback Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
logPoct/wat	4.687		Crippen Calculated Property
McVol	236.350	ml/mol	McGowan Calculated Property
Inp	[2787.00; 2787.00]
Inp	2787.00		NIST
Inp	2787.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[293.17; 766.37]	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			-1.20049e+02
Coefficient B			1.84740e+00
Coefficient C			-1.32088e-03
Coefficient D			3.59900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.17	J/mol×K	273.00	Calculated Property
Cp,gas	384.14	J/mol×K	353.78	Calculated Property
Cp,gas	462.85	J/mol×K	434.56	Calculated Property
Cp,gas	530.45	J/mol×K	515.33	Calculated Property
Cp,gas	588.07	J/mol×K	596.11	Calculated Property
Cp,gas	636.85	J/mol×K	676.89	Calculated Property
Cp,gas	677.94	J/mol×K	757.67	Calculated Property
Cp,gas	712.46	J/mol×K	838.44	Calculated Property
Cp,gas	741.56	J/mol×K	919.22	Calculated Property
Cp,gas	766.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017803; 0.0005296]	Pa×s	[480.52; 747.28]	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			-9.72734e+00
Coefficient B			1.63201e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			480.52
Temperature range, max.			747.28
η	0.0017803	Pa×s	480.52	Calculated Property
η	0.0014615	Pa×s	510.16	Calculated Property
η	0.0012260	Pa×s	539.80	Calculated Property
η	0.0010475	Pa×s	569.44	Calculated Property
η	0.0009090	Pa×s	599.08	Calculated Property
η	0.0007995	Pa×s	628.72	Calculated Property
η	0.0007113	Pa×s	658.36	Calculated Property
η	0.0006392	Pa×s	688.00	Calculated Property
η	0.0005796	Pa×s	717.64	Calculated Property
η	0.0005296	Pa×s	747.28	Calculated Property

Similar Compounds

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