Chemical Properties of 2-Hydroxy-4-isopropylnaphthalene (CAS 162050-75-1)

InChI

InChI=1S/C13H14O/c1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13/h3-9,14H,1-2H3

InChI Key

SQWZYHJSSCQDRJ-UHFFFAOYSA-N

Formula

C13H14O

SMILES

CC(C)c1cc(O)cc2ccccc12

Molecular Weight¹

186.25

CAS

162050-75-1

• 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).
• 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).
• 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
ΔfH°gas	-93.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.36	kJ/mol	Joback Calculated Property
ΔvapH°	91.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-3.69		Relay (1.0) Calculated Property
logPoct/wat	3.669		Crippen Calculated Property
McVol	156.680	ml/mol	McGowan Calculated Property
Pc	3272.78	kPa	Joback Calculated Property
Inp	[1484.00; 1484.00]
Inp	1484.00		NIST
Inp	1484.00		NIST
Tboil	588.31	K	Relay (1.0) Calculated Property
Tc	851.93	K	Relay (1.0) Calculated Property
Tfus	392.85	K	Relay (1.0) Calculated Property
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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	[202.13; 500.62]	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			-7.05800e+01
Coefficient B			1.25724e+00
Coefficient C			-1.04384e-03
Coefficient D			3.57800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.13	J/mol×K	273.00	Calculated Property
Cp,gas	259.40	J/mol×K	353.78	Calculated Property
Cp,gas	308.00	J/mol×K	434.56	Calculated Property
Cp,gas	349.07	J/mol×K	515.33	Calculated Property
Cp,gas	383.74	J/mol×K	596.11	Calculated Property
Cp,gas	413.13	J/mol×K	676.89	Calculated Property
Cp,gas	438.39	J/mol×K	757.67	Calculated Property
Cp,gas	460.63	J/mol×K	838.44	Calculated Property
Cp,gas	481.00	J/mol×K	919.22	Calculated Property
Cp,gas	500.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011279; 0.0000497]	Pa×s	[404.63; 608.52]	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			-1.61039e+01
Coefficient B			3.76972e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			404.63
Temperature range, max.			608.52
η	0.0011279	Pa×s	404.63	Calculated Property
η	0.0006882	Pa×s	427.28	Calculated Property
η	0.0004414	Pa×s	449.94	Calculated Property
η	0.0002954	Pa×s	472.59	Calculated Property
η	0.0002051	Pa×s	495.25	Calculated Property
η	0.0001470	Pa×s	517.90	Calculated Property
η	0.0001084	Pa×s	540.56	Calculated Property
η	0.0000819	Pa×s	563.21	Calculated Property
η	0.0000632	Pa×s	585.86	Calculated Property
η	0.0000497	Pa×s	608.52	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-4-isopropylnaphthalene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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