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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.38; 698.70]	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			-5.86180e+01
Coefficient B			1.52228e+00
Coefficient C			-1.08936e-03
Coefficient D			3.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.38	J/mol×K	273.00	Calculated Property
Cp,gas	357.95	J/mol×K	353.78	Calculated Property
Cp,gas	423.80	J/mol×K	434.56	Calculated Property
Cp,gas	480.96	J/mol×K	515.33	Calculated Property
Cp,gas	530.44	J/mol×K	596.11	Calculated Property
Cp,gas	573.28	J/mol×K	676.89	Calculated Property
Cp,gas	610.50	J/mol×K	757.67	Calculated Property
Cp,gas	643.13	J/mol×K	838.44	Calculated Property
Cp,gas	672.19	J/mol×K	919.22	Calculated Property
Cp,gas	698.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046742; 0.0000260]	Pa×s	[351.95; 603.56]	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			-1.78178e+01
Coefficient B			4.38250e+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.			351.95
Temperature range, max.			603.56
η	0.0046742	Pa×s	351.95	Calculated Property
η	0.0018696	Pa×s	379.91	Calculated Property
η	0.0008479	Pa×s	407.86	Calculated Property
η	0.0004256	Pa×s	435.82	Calculated Property
η	0.0002321	Pa×s	463.78	Calculated Property
η	0.0001357	Pa×s	491.73	Calculated Property
η	0.0000840	Pa×s	519.69	Calculated Property
η	0.0000546	Pa×s	547.65	Calculated Property
η	0.0000370	Pa×s	575.61	Calculated Property
η	0.0000260	Pa×s	603.56	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[452.61; 589.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.35332e+02
Coefficient B			-1.58023e+04
Coefficient C			-1.65004e+01
Coefficient D			4.43190e-06
Coefficient E			0.00000e+00
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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