Chemical Properties of 1-Naphthalenemethanol (CAS 4780-79-4)

InChI

InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2

InChI Key

PBLNHHSDYFYZNC-UHFFFAOYSA-N

Formula

C11H10O

SMILES

OCc1cccc2ccccc12

Molecular Weight¹

158.20

CAS

4780-79-4

Other Names

• naphthalene-1-methanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_subH° : Enthalpy of sublimation 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).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.35; 452.50]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.64499e+01
Coefficient B			-5.00000e+02
Coefficient C			6.23611e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	158.35	J/mol×K	255.00	Calculated Property
Cp,gas	229.75	J/mol×K	393.33	Calculated Property
Cp,gas	285.92	J/mol×K	531.67	Calculated Property
Cp,gas	328.67	J/mol×K	670.00	Calculated Property
Cp,gas	361.67	J/mol×K	808.33	Calculated Property
Cp,gas	387.70	J/mol×K	946.67	Calculated Property
Cp,gas	408.69	J/mol×K	1085.00	Calculated Property
Cp,gas	425.92	J/mol×K	1223.33	Calculated Property
Cp,gas	440.32	J/mol×K	1361.67	Calculated Property
Cp,gas	452.50	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[301.78; 470.27]	J/mol×K	[387.22; 783.15]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			4.09335e+00
Coefficient B			9.38475e-01
Coefficient C			-4.38255e-04
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 3, LiquidHeatCapacityCp
Temperature range, min.			387.22
Temperature range, max.			783.15
Cp,liquid	301.78	J/mol×K	387.22	Calculated Property
Cp,liquid	327.28	J/mol×K	431.21	Calculated Property
Cp,liquid	351.09	J/mol×K	475.20	Calculated Property
Cp,liquid	373.21	J/mol×K	519.19	Calculated Property
Cp,liquid	393.62	J/mol×K	563.19	Calculated Property
Cp,liquid	412.35	J/mol×K	607.18	Calculated Property
Cp,liquid	429.37	J/mol×K	651.17	Calculated Property
Cp,liquid	444.70	J/mol×K	695.17	Calculated Property
Cp,liquid	458.33	J/mol×K	739.16	Calculated Property
Cp,liquid	470.27	J/mol×K	783.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040224; 0.0002074]	Pa×s	[311.00; 783.15]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.04341e+01
Coefficient B			1.52958e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			311.00
Temperature range, max.			783.15
η	0.0040224	Pa×s	311.00	Calculated Property
η	0.0019778	Pa×s	363.46	Calculated Property
η	0.0011632	Pa×s	415.92	Calculated Property
η	0.0007705	Pa×s	468.38	Calculated Property
η	0.0005545	Pa×s	520.85	Calculated Property
η	0.0004238	Pa×s	573.31	Calculated Property
η	0.0003389	Pa×s	625.77	Calculated Property
η	0.0002805	Pa×s	678.23	Calculated Property
η	0.0002386	Pa×s	730.69	Calculated Property
η	0.0002074	Pa×s	783.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[69.21; 0.00]	kJ/mol	[387.22; 783.15]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			8.96835e+01
Coefficient B			3.80000e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.83151e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			387.22
Temperature range, max.			783.15
ΔvapH	69.21	kJ/mol	387.22	Calculated Property
ΔvapH	66.18	kJ/mol	431.21	Calculated Property
ΔvapH	62.90	kJ/mol	475.20	Calculated Property
ΔvapH	59.32	kJ/mol	519.19	Calculated Property
ΔvapH	55.35	kJ/mol	563.19	Calculated Property
ΔvapH	50.85	kJ/mol	607.18	Calculated Property
ΔvapH	45.59	kJ/mol	651.17	Calculated Property
ΔvapH	39.08	kJ/mol	695.17	Calculated Property
ΔvapH	30.03	kJ/mol	739.16	Calculated Property
ΔvapH	0.00	kJ/mol	783.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.00]	N/m	[273.15; 783.15]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			6.64788e-02
Coefficient B			1.23200e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.83151e+02
Comment			ChemSep eq 106, SurfaceTension
Temperature range, min.			273.15
Temperature range, max.			783.15
γ	0.04	N/m	273.15	Calculated Property
γ	0.03	N/m	329.82	Calculated Property
γ	0.03	N/m	386.48	Calculated Property
γ	0.02	N/m	443.15	Calculated Property
γ	0.02	N/m	499.82	Calculated Property
γ	0.01	N/m	556.48	Calculated Property
γ	0.01	N/m	613.15	Calculated Property
γ	0.01	N/m	669.82	Calculated Property
γ	0.00	N/m	726.48	Calculated Property
γ	0.00	N/m	783.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.15; 0.08]	W/m×K	[253.15; 423.15]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λ in W/m×K, T in K
Coefficient A			1.28865e-01
Coefficient B			3.83551e-04
Coefficient C			-1.16159e-06
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 3, LiquidThermalConductivity
Temperature range, min.			253.15
Temperature range, max.			423.15
λ	0.15	W/m×K	253.15	Calculated Property
λ	0.15	W/m×K	272.04	Calculated Property
λ	0.14	W/m×K	290.93	Calculated Property
λ	0.14	W/m×K	309.82	Calculated Property
λ	0.13	W/m×K	328.71	Calculated Property
λ	0.12	W/m×K	347.59	Calculated Property
λ	0.11	W/m×K	366.48	Calculated Property
λ	0.10	W/m×K	385.37	Calculated Property
λ	0.09	W/m×K	404.26	Calculated Property
λ	0.08	W/m×K	423.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenemethanol.

Sources

• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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