Chemical Properties of 4-Nonylphenol (CAS 104-40-5)

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

InChI Key

IGFHQQFPSIBGKE-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CCCCCCCCCc1ccc(O)cc1

Molecular Weight¹

220.35

CAS

104-40-5

Other Names

• 4-n-Nonyl phenol
• 4-n-Nonylphenol
• Phenol, 4-nonyl-
• Phenol, p-nonyl-
• p-Nonylphenol
• para Nonyl phenol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : 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

Property	Value	Unit	Source
ω	0.8095		Relay (1.0) Calculated Property
ΔfG°	33.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.43	kJ/mol	Joback Calculated Property
ΔvapH°	94.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	4.685		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[1871.80; 1889.00]
Inp	1871.80		NIST
Inp	1876.70		NIST
Inp	1883.40		NIST
Inp	1889.00		NIST
Inp	1877.00		NIST
Inp	1871.80		NIST
I	2900.00		NIST
Tboil	597.95	K	Relay (1.0) Calculated Property
Tc	796.20	K	Relay (1.0) Calculated Property
Tfus	316.40	K	Relay (1.0) Calculated Property
Vc	0.760	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[557.72; 646.02]	J/mol×K	[650.10; 851.95]
Cp,gas	557.72	J/mol×K	650.10	Joback Calculated Property
Cp,gas	574.51	J/mol×K	683.74	Joback Calculated Property
Cp,gas	590.38	J/mol×K	717.38	Joback Calculated Property
Cp,gas	605.39	J/mol×K	751.02	Joback Calculated Property
Cp,gas	619.61	J/mol×K	784.67	Joback Calculated Property
Cp,gas	633.13	J/mol×K	818.31	Joback Calculated Property
Cp,gas	646.02	J/mol×K	851.95	Joback Calculated Property
η	[0.0000194; 0.0012797]	Pa×s	[396.95; 650.10]
η	0.0012797	Pa×s	396.95	Joback Calculated Property
η	0.0004554	Pa×s	439.14	Joback Calculated Property
η	0.0001942	Pa×s	481.33	Joback Calculated Property
η	0.0000950	Pa×s	523.52	Joback Calculated Property
η	0.0000517	Pa×s	565.72	Joback Calculated Property
η	0.0000306	Pa×s	607.91	Joback Calculated Property
η	0.0000194	Pa×s	650.10	Joback Calculated Property
ΔvapH	65.00	kJ/mol	541.00	NIST

Similar Compounds

Find more compounds similar to 4-Nonylphenol.

Sources

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

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