Chemical Properties of Benzaldehyde, 4-(heptyloxy)-

InChI

InChI=1S/C14H20O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3

InChI Key

YBCKMIZXHKVONZ-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CCCCCCCOc1ccc(C=O)cc1

Molecular Weight¹

220.31

Other Names

• 4-n-Heptyloxybenzaldehyde
• 4-(Heptyloxy)benzaldehyde
• p-Heptyloxybenzaldehyde
• p-n-Heptoxybenzaldehyde
• 4-n-Heptoxybenzaldehyde
• p-n-Heptyloxybenzaldehyde

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.08; 629.32]	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			7.45600e+00
Coefficient B			1.10672e+00
Coefficient C			-5.83960e-04
Coefficient D			9.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.08	J/mol×K	273.00	Calculated Property
Cp,gas	330.29	J/mol×K	353.78	Calculated Property
Cp,gas	386.25	J/mol×K	434.56	Calculated Property
Cp,gas	436.27	J/mol×K	515.33	Calculated Property
Cp,gas	480.67	J/mol×K	596.11	Calculated Property
Cp,gas	519.76	J/mol×K	676.89	Calculated Property
Cp,gas	553.86	J/mol×K	757.67	Calculated Property
Cp,gas	583.27	J/mol×K	838.44	Calculated Property
Cp,gas	608.32	J/mol×K	919.22	Calculated Property
Cp,gas	629.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018135; 0.0002146]	Pa×s	[350.71; 573.70]	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			-1.18030e+01
Coefficient B			1.92556e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			350.71
Temperature range, max.			573.70
η	0.0018135	Pa×s	350.71	Calculated Property
η	0.0012623	Pa×s	375.49	Calculated Property
η	0.0009190	Pa×s	400.26	Calculated Property
η	0.0006943	Pa×s	425.04	Calculated Property
η	0.0005409	Pa×s	449.82	Calculated Property
η	0.0004326	Pa×s	474.60	Calculated Property
η	0.0003537	Pa×s	499.37	Calculated Property
η	0.0002948	Pa×s	524.15	Calculated Property
η	0.0002497	Pa×s	548.93	Calculated Property
η	0.0002146	Pa×s	573.70	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-(heptyloxy)-.

Sources

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

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