Chemical Properties of p-Pentyloxycinnamic acid (CAS 62718-63-2)

InChI

InChI=1S/C14H18O3/c1-2-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16/h5-10H,2-4,11H2,1H3,(H,15,16)/b10-7+

InChI Key

WXPBGFBUVHLMSK-JXMROGBWSA-N

Formula

C14H18O3

SMILES

CCCCCOc1ccc(C=CC(=O)O)cc1

Molecular Weight¹

234.29

CAS

62718-63-2

• 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).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[262.79; 618.73]	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			-1.35260e+01
Coefficient B			1.20302e+00
Coefficient C			-7.47360e-04
Coefficient D			1.76600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.79	J/mol×K	273.00	Calculated Property
Cp,gas	326.36	J/mol×K	353.78	Calculated Property
Cp,gas	382.61	J/mol×K	434.56	Calculated Property
Cp,gas	432.12	J/mol×K	515.33	Calculated Property
Cp,gas	475.44	J/mol×K	596.11	Calculated Property
Cp,gas	513.13	J/mol×K	676.89	Calculated Property
Cp,gas	545.74	J/mol×K	757.67	Calculated Property
Cp,gas	573.84	J/mol×K	838.44	Calculated Property
Cp,gas	597.99	J/mol×K	919.22	Calculated Property
Cp,gas	618.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006398; 0.0001348]	Pa×s	[464.23; 655.47]	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			-1.26924e+01
Coefficient B			2.47811e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			464.23
Temperature range, max.			655.47
η	0.0006398	Pa×s	464.23	Calculated Property
η	0.0005065	Pa×s	485.48	Calculated Property
η	0.0004089	Pa×s	506.73	Calculated Property
η	0.0003359	Pa×s	527.98	Calculated Property
η	0.0002801	Pa×s	549.23	Calculated Property
η	0.0002368	Pa×s	570.47	Calculated Property
η	0.0002026	Pa×s	591.72	Calculated Property
η	0.0001752	Pa×s	612.97	Calculated Property
η	0.0001530	Pa×s	634.22	Calculated Property
η	0.0001348	Pa×s	655.47	Calculated Property

Similar Compounds

Find more compounds similar to p-Pentyloxycinnamic acid.

Sources

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

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