Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-5-yl ester

InChI

InChI=1S/C23H36O2/c1-3-5-7-8-9-13-17-20(16-6-4-2)25-23(24)22-18-21(22)19-14-11-10-12-15-19/h10-12,14-15,20-22H,3-9,13,16-18H2,1-2H3

InChI Key

RVRSOFDORKXKFK-UHFFFAOYSA-N

Formula

C23H36O2

SMILES

CCCCCCCCC(CCCC)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

344.53

• 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).
• 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°	49.42	kJ/mol	Joback Calculated Property
logPoct/wat	6.643		Crippen Calculated Property
McVol	307.750	ml/mol	McGowan Calculated Property
Inp	[2454.00; 2454.00]
Inp	2454.00		NIST
Inp	2454.00		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, Ionization energy, 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	[430.99; 1082.44]	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			-7.25000e+01
Coefficient B			2.18544e+00
Coefficient C			-1.33200e-03
Coefficient D			3.01500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	430.99	J/mol×K	273.00	Calculated Property
Cp,gas	547.30	J/mol×K	353.78	Calculated Property
Cp,gas	650.40	J/mol×K	434.56	Calculated Property
Cp,gas	741.26	J/mol×K	515.33	Calculated Property
Cp,gas	820.81	J/mol×K	596.11	Calculated Property
Cp,gas	890.01	J/mol×K	676.89	Calculated Property
Cp,gas	949.82	J/mol×K	757.67	Calculated Property
Cp,gas	1001.20	J/mol×K	838.44	Calculated Property
Cp,gas	1045.09	J/mol×K	919.22	Calculated Property
Cp,gas	1082.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019476; 0.0002281]	Pa×s	[416.42; 706.88]	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			-1.14608e+01
Coefficient B			2.17355e+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.			416.42
Temperature range, max.			706.88
η	0.0019476	Pa×s	416.42	Calculated Property
η	0.0013380	Pa×s	448.69	Calculated Property
η	0.0009667	Pa×s	480.97	Calculated Property
η	0.0007275	Pa×s	513.24	Calculated Property
η	0.0005663	Pa×s	545.51	Calculated Property
η	0.0004533	Pa×s	577.79	Calculated Property
η	0.0003715	Pa×s	610.06	Calculated Property
η	0.0003106	Pa×s	642.33	Calculated Property
η	0.0002642	Pa×s	674.61	Calculated Property
η	0.0002281	Pa×s	706.88	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-5-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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