Chemical Properties of Heptanoic acid, phenyl ester (CAS 56052-14-3)

InChI

InChI=1S/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

InChI Key

USVUMWSMZMQXIZ-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CCCCCCC(=O)Oc1ccccc1

Molecular Weight¹

206.28

CAS

56052-14-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.34; 579.60]	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			-1.74250e+01
Coefficient B			1.10512e+00
Coefficient C			-6.20000e-04
Coefficient D			1.11900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.34	J/mol×K	273.00	Calculated Property
Cp,gas	300.90	J/mol×K	353.78	Calculated Property
Cp,gas	354.91	J/mol×K	434.56	Calculated Property
Cp,gas	402.74	J/mol×K	515.33	Calculated Property
Cp,gas	444.74	J/mol×K	596.11	Calculated Property
Cp,gas	481.25	J/mol×K	676.89	Calculated Property
Cp,gas	512.64	J/mol×K	757.67	Calculated Property
Cp,gas	539.26	J/mol×K	838.44	Calculated Property
Cp,gas	561.46	J/mol×K	919.22	Calculated Property
Cp,gas	579.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032386; 0.0001884]	Pa×s	[305.02; 547.79]	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			-1.21507e+01
Coefficient B			1.95766e+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.			305.02
Temperature range, max.			547.79
η	0.0032386	Pa×s	305.02	Calculated Property
η	0.0019226	Pa×s	331.99	Calculated Property
η	0.0012344	Pa×s	358.97	Calculated Property
η	0.0008432	Pa×s	385.94	Calculated Property
η	0.0006053	Pa×s	412.92	Calculated Property
η	0.0004526	Pa×s	439.89	Calculated Property
η	0.0003500	Pa×s	466.87	Calculated Property
η	0.0002784	Pa×s	493.84	Calculated Property
η	0.0002267	Pa×s	520.82	Calculated Property
η	0.0001884	Pa×s	547.79	Calculated Property

Similar Compounds

Find more compounds similar to Heptanoic acid, phenyl ester.

Sources

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

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