Chemical Properties of 5-Sec-butyl-2-hydroxybenzaldehyde (CAS 59893-28-6)

InChI

InChI=1S/C11H14O2/c1-3-8(2)9-4-5-11(13)10(6-9)7-12/h4-8,13H,3H2,1-2H3

InChI Key

KKECZRYVNIFRRC-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CCC(C)c1ccc(O)c(C=O)c1

Molecular Weight¹

178.23

CAS

59893-28-6

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, 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	[205.61; 479.00]	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			-2.59190e+01
Coefficient B			1.04544e+00
Coefficient C			-7.91320e-04
Coefficient D			2.50800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.61	J/mol×K	273.00	Calculated Property
Cp,gas	256.00	J/mol×K	353.78	Calculated Property
Cp,gas	299.53	J/mol×K	434.56	Calculated Property
Cp,gas	337.01	J/mol×K	515.33	Calculated Property
Cp,gas	369.21	J/mol×K	596.11	Calculated Property
Cp,gas	396.94	J/mol×K	676.89	Calculated Property
Cp,gas	421.00	J/mol×K	757.67	Calculated Property
Cp,gas	442.16	J/mol×K	838.44	Calculated Property
Cp,gas	461.23	J/mol×K	919.22	Calculated Property
Cp,gas	479.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015601; 0.0000503]	Pa×s	[391.39; 584.29]	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			-1.68659e+01
Coefficient B			4.07159e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			391.39
Temperature range, max.			584.29
η	0.0015601	Pa×s	391.39	Calculated Property
η	0.0009090	Pa×s	412.82	Calculated Property
η	0.0005587	Pa×s	434.26	Calculated Property
η	0.0003595	Pa×s	455.69	Calculated Property
η	0.0002406	Pa×s	477.12	Calculated Property
η	0.0001667	Pa×s	498.55	Calculated Property
η	0.0001191	Pa×s	519.99	Calculated Property
η	0.0000873	Pa×s	541.42	Calculated Property
η	0.0000656	Pa×s	562.85	Calculated Property
η	0.0000503	Pa×s	584.29	Calculated Property

Similar Compounds

Find more compounds similar to 5-Sec-butyl-2-hydroxybenzaldehyde.

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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