Chemical Properties of Benzaldehyde, 2-hydroxy, 5-hexyl

InChI

InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-8-13(15)12(9-11)10-14/h7-10,15H,2-6H2,1H3

InChI Key

AKLLVPQDWXRGLG-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CCCCCCc1ccc(O)c(C=O)c1

Molecular Weight¹

206.29

• 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).
• I_np : Non-polar retention indices.
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.35; 581.64]	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			-2.60550e+01
Coefficient B			1.22952e+00
Coefficient C			-8.96920e-04
Coefficient D			2.75100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.35	J/mol×K	273.00	Calculated Property
Cp,gas	308.85	J/mol×K	353.78	Calculated Property
Cp,gas	361.44	J/mol×K	434.56	Calculated Property
Cp,gas	407.01	J/mol×K	515.33	Calculated Property
Cp,gas	446.43	J/mol×K	596.11	Calculated Property
Cp,gas	480.56	J/mol×K	676.89	Calculated Property
Cp,gas	510.28	J/mol×K	757.67	Calculated Property
Cp,gas	536.45	J/mol×K	838.44	Calculated Property
Cp,gas	559.95	J/mol×K	919.22	Calculated Property
Cp,gas	581.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007924; 0.0000434]	Pa×s	[428.93; 608.42]	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			-1.69837e+01
Coefficient B			4.22209e+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.			428.93
Temperature range, max.			608.42
η	0.0007924	Pa×s	428.93	Calculated Property
η	0.0005117	Pa×s	448.87	Calculated Property
η	0.0003430	Pa×s	468.82	Calculated Property
η	0.0002375	Pa×s	488.76	Calculated Property
η	0.0001693	Pa×s	508.70	Calculated Property
η	0.0001238	Pa×s	528.64	Calculated Property
η	0.0000926	Pa×s	548.59	Calculated Property
η	0.0000707	Pa×s	568.53	Calculated Property
η	0.0000550	Pa×s	588.47	Calculated Property
η	0.0000434	Pa×s	608.42	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 2-hydroxy, 5-hexyl.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.