Chemical Properties of Nonylphenol (CAS 25154-52-3)

InChI

InChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3

InChI Key

SLULBVLEUPOSOI-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC(C)CC(C)CC(C)c1ccc(O)cc1

Molecular Weight¹

220.36

CAS

25154-52-3

Other Names

• Phenol, nonyl-

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-314.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.86	kJ/mol	Joback Calculated Property
ΔvapH°	87.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	2		KDB
Inp	[1720.00; 1733.00]
Inp	1720.00		NIST
Inp	1733.00		NIST
Tboil	580.61	K	Relay (1.0) Calculated Property
Tfus	328.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.07; 652.01]	J/mol×K	[648.78; 862.23]
Cp,gas	559.07	J/mol×K	648.78	Joback Calculated Property
Cp,gas	576.94	J/mol×K	684.36	Joback Calculated Property
Cp,gas	593.75	J/mol×K	719.93	Joback Calculated Property
Cp,gas	609.57	J/mol×K	755.51	Joback Calculated Property
Cp,gas	624.50	J/mol×K	791.08	Joback Calculated Property
Cp,gas	638.61	J/mol×K	826.66	Joback Calculated Property
Cp,gas	652.01	J/mol×K	862.23	Joback Calculated Property
η	[0.0000157; 0.0046742]	Pa×s	[351.95; 648.78]
η	0.0046742	Pa×s	351.95	Joback Calculated Property
η	0.0010075	Pa×s	401.42	Joback Calculated Property
η	0.0003041	Pa×s	450.89	Joback Calculated Property
η	0.0001163	Pa×s	500.37	Joback Calculated Property
η	0.0000529	Pa×s	549.84	Joback Calculated Property
η	0.0000274	Pa×s	599.31	Joback Calculated Property
η	0.0000157	Pa×s	648.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[452.61; 589.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.80470e+01
Coefficient B			-6.16655e+03
Coefficient C			-1.05381e+02
Temperature range, min.			452.61
Temperature range, max.			589.58
Pvap	1.33	kPa	452.61	Calculated Property
Pvap	2.81	kPa	467.83	Calculated Property
Pvap	5.58	kPa	483.05	Calculated Property
Pvap	10.50	kPa	498.27	Calculated Property
Pvap	18.86	kPa	513.49	Calculated Property
Pvap	32.46	kPa	528.70	Calculated Property
Pvap	53.82	kPa	543.92	Calculated Property
Pvap	86.24	kPa	559.14	Calculated Property
Pvap	134.05	kPa	574.36	Calculated Property
Pvap	202.65	kPa	589.58	Calculated Property
Pvap	[9.59e-07; 2017.39]	kPa	[279.15; 757.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.35332e+02
Coefficient B			-1.58023e+04
Coefficient C			-1.65004e+01
Coefficient D			4.43190e-06
Temperature range, min.			279.15
Temperature range, max.			757.00
Pvap	9.59e-07	kPa	279.15	Calculated Property
Pvap	5.31e-04	kPa	332.24	Calculated Property
Pvap	0.04	kPa	385.34	Calculated Property
Pvap	0.79	kPa	438.43	Calculated Property
Pvap	7.33	kPa	491.53	Calculated Property
Pvap	39.54	kPa	544.62	Calculated Property
Pvap	146.72	kPa	597.72	Calculated Property
Pvap	417.76	kPa	650.81	Calculated Property
Pvap	983.51	kPa	703.91	Calculated Property
Pvap	2017.39	kPa	757.00	Calculated Property

Similar Compounds

Find more compounds similar to Nonylphenol.

Sources

• KDB Vapor Pressure Data
• 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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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