Chemical Properties of Phenol, 4-heptyl- (CAS 1987-50-4)

InChI

InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3

InChI Key

KNDDEFBFJLKPFE-UHFFFAOYSA-N

Formula

C13H20O

SMILES

CCCCCCCc1ccc(O)cc1

Molecular Weight¹

192.30

CAS

1987-50-4

Other Names

• 4-heptylphenol
• 4-n-Heptylphenol
• p-Heptylphenol
• p-n-Heptylphenol

• 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).
• 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.
• 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
ΔfG°	16.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-252.43	kJ/mol	Joback Calculated Property
ΔfusH°	29.25	kJ/mol	Joback Calculated Property
ΔvapH°	59.82	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	3.905		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Pc	2535.37	kPa	Joback Calculated Property
Inp	[1665.50; 1678.00]
Inp	1665.50		NIST
Inp	1669.00		NIST
Inp	1673.80		NIST
Inp	1678.00		NIST
Inp	1665.50		NIST
I	2679.00		NIST
Tboil	604.14	K	Joback Calculated Property
Tc	811.88	K	Joback Calculated Property
Tfus	297.15 ± 2.00	K	NIST
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.63; 537.14]	J/mol×K	[604.14; 811.88]
Cp,gas	454.63	J/mol×K	604.14	Joback Calculated Property
Cp,gas	470.48	J/mol×K	638.76	Joback Calculated Property
Cp,gas	485.39	J/mol×K	673.39	Joback Calculated Property
Cp,gas	499.44	J/mol×K	708.01	Joback Calculated Property
Cp,gas	512.69	J/mol×K	742.64	Joback Calculated Property
Cp,gas	525.24	J/mol×K	777.26	Joback Calculated Property
Cp,gas	537.14	J/mol×K	811.88	Joback Calculated Property
η	[0.0000305; 0.0019211]	Pa×s	[374.41; 604.14]
η	0.0019211	Pa×s	374.41	Joback Calculated Property
η	0.0006989	Pa×s	412.70	Joback Calculated Property
η	0.0003019	Pa×s	450.99	Joback Calculated Property
η	0.0001487	Pa×s	489.27	Joback Calculated Property
η	0.0000812	Pa×s	527.56	Joback Calculated Property
η	0.0000481	Pa×s	565.85	Joback Calculated Property
η	0.0000305	Pa×s	604.14	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[408.00; 577.88]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47195e+01
Coefficient B			-4.59108e+03
Coefficient C			-8.98800e+01
Temperature range, min.			408.00
Temperature range, max.			577.88
Pvap	1.33	kPa	408.00	Calculated Property
Pvap	2.99	kPa	426.88	Calculated Property
Pvap	6.16	kPa	445.75	Calculated Property
Pvap	11.80	kPa	464.63	Calculated Property
Pvap	21.24	kPa	483.50	Calculated Property
Pvap	36.22	kPa	502.38	Calculated Property
Pvap	58.94	kPa	521.25	Calculated Property
Pvap	92.09	kPa	540.13	Calculated Property
Pvap	138.80	kPa	559.00	Calculated Property
Pvap	202.67	kPa	577.88	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-heptyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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