Chemical Properties of 2,4-Dinonylphenol (CAS 137-99-5)

InChI

InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3

InChI Key

FDAJTLLBHNHECW-UHFFFAOYSA-N

Formula

C24H42O

SMILES

CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1

Molecular Weight¹

346.59

CAS

137-99-5

• 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_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	[476.79; 1158.37]	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			-4.74540e+01
Coefficient B			2.30004e+00
Coefficient C			-1.50232e-03
Coefficient D			4.08100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.79	J/mol×K	273.00	Calculated Property
Cp,gas	596.29	J/mol×K	353.78	Calculated Property
Cp,gas	701.83	J/mol×K	434.56	Calculated Property
Cp,gas	794.72	J/mol×K	515.33	Calculated Property
Cp,gas	876.22	J/mol×K	596.11	Calculated Property
Cp,gas	947.65	J/mol×K	676.89	Calculated Property
Cp,gas	1010.29	J/mol×K	757.67	Calculated Property
Cp,gas	1065.43	J/mol×K	838.44	Calculated Property
Cp,gas	1114.36	J/mol×K	919.22	Calculated Property
Cp,gas	1158.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001592; 0.0000073]	Pa×s	[510.90; 741.18]	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			-1.86598e+01
Coefficient B			5.06522e+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.			510.90
Temperature range, max.			741.18
η	0.0001592	Pa×s	510.90	Calculated Property
η	0.0000992	Pa×s	536.49	Calculated Property
η	0.0000645	Pa×s	562.07	Calculated Property
η	0.0000436	Pa×s	587.66	Calculated Property
η	0.0000304	Pa×s	613.25	Calculated Property
η	0.0000219	Pa×s	638.84	Calculated Property
η	0.0000161	Pa×s	664.42	Calculated Property
η	0.0000121	Pa×s	690.01	Calculated Property
η	0.0000093	Pa×s	715.60	Calculated Property
η	0.0000073	Pa×s	741.18	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dinonylphenol.

Sources

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

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