Chemical Properties of P-DODECYLPHENOL (CAS 104-43-8)

InChI

InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3

InChI Key

KJWMCPYEODZESQ-UHFFFAOYSA-N

Formula

C18H30O

SMILES

CCCCCCCCCCCCc1ccc(O)cc1

Molecular Weight¹

262.44

CAS

104-43-8

Other Names

• 4-Dodecylphenol
• Phenol, p-dodecyl-

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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	0.9174		Relay (1.0) Calculated Property
ΔfG°	58.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.20	kJ/mol	Joback Calculated Property
ΔvapH°	108.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-6.23		Relay (1.0) Calculated Property
logPoct/wat	5.856		Crippen Calculated Property
McVol	246.590	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		NIST
Tboil	620.43	K	Relay (1.0) Calculated Property
Tc	822.92	K	Relay (1.0) Calculated Property
Tfus	330.62	K	Relay (1.0) Calculated Property
Vc	0.929	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.96; 851.86]	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			-5.62990e+01
Coefficient B			1.78952e+00
Coefficient C			-1.24296e-03
Coefficient D			3.61600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.96	J/mol×K	273.00	Calculated Property
Cp,gas	437.24	J/mol×K	353.78	Calculated Property
Cp,gas	516.30	J/mol×K	434.56	Calculated Property
Cp,gas	585.30	J/mol×K	515.33	Calculated Property
Cp,gas	645.37	J/mol×K	596.11	Calculated Property
Cp,gas	697.65	J/mol×K	676.89	Calculated Property
Cp,gas	743.30	J/mol×K	757.67	Calculated Property
Cp,gas	783.46	J/mol×K	838.44	Calculated Property
Cp,gas	819.26	J/mol×K	919.22	Calculated Property
Cp,gas	851.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006949; 0.0000220]	Pa×s	[430.76; 639.98]	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			-1.78380e+01
Coefficient B			4.55152e+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.			430.76
Temperature range, max.			639.98
η	0.0006949	Pa×s	430.76	Calculated Property
η	0.0004045	Pa×s	454.01	Calculated Property
η	0.0002482	Pa×s	477.25	Calculated Property
η	0.0001594	Pa×s	500.50	Calculated Property
η	0.0001065	Pa×s	523.75	Calculated Property
η	0.0000736	Pa×s	546.99	Calculated Property
η	0.0000524	Pa×s	570.24	Calculated Property
η	0.0000383	Pa×s	593.49	Calculated Property
η	0.0000287	Pa×s	616.73	Calculated Property
η	0.0000220	Pa×s	639.98	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.31; 202.55]	kPa	[438.15; 630.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41722e+01
Coefficient B			-4.69348e+03
Coefficient C			-1.00486e+02
Temperature range, min.			438.15
Temperature range, max.			630.15
Pvap	1.31	kPa	438.15	Calculated Property
Pvap	3.00	kPa	459.48	Calculated Property
Pvap	6.24	kPa	480.82	Calculated Property
Pvap	12.03	kPa	502.15	Calculated Property
Pvap	21.68	kPa	523.48	Calculated Property
Pvap	36.94	kPa	544.82	Calculated Property
Pvap	59.93	kPa	566.15	Calculated Property
Pvap	93.19	kPa	587.48	Calculated Property
Pvap	139.65	kPa	608.82	Calculated Property
Pvap	202.55	kPa	630.15	Calculated Property

Similar Compounds

Find more compounds similar to P-DODECYLPHENOL.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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