Chemical Properties of Naphthalene, 1-(2-hydroxypropyl) (CAS 27653-13-0)

InChI

InChI=1S/C13H14O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10,14H,9H2,1H3

InChI Key

AWRNNDMJROEECC-UHFFFAOYSA-N

Formula

C13H14O

SMILES

CC(O)Cc1cccc2ccccc12

Molecular Weight¹

186.25

CAS

27653-13-0

Other Names

• 1-(1-Naphthyl)-2-propanol

• 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).
• 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	0.6656		Relay (1.0) Calculated Property
ΔfG°	128.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-112.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.66	kJ/mol	Joback Calculated Property
ΔvapH°	91.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-2.24		Relay (1.0) Calculated Property
logPoct/wat	2.763		Crippen Calculated Property
McVol	156.680	ml/mol	McGowan Calculated Property
Pc	3069.34	kPa	Joback Calculated Property
Inp	[1712.00; 1712.00]
Inp	1712.00		NIST
Inp	1712.00		NIST
Tboil	590.32	K	Relay (1.0) Calculated Property
Tc	833.97	K	Relay (1.0) Calculated Property
Tfus	327.18	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.74; 496.87]	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			-5.63690e+01
Coefficient B			1.13662e+00
Coefficient C			-8.17880e-04
Coefficient D			2.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.74	J/mol×K	273.00	Calculated Property
Cp,gas	253.76	J/mol×K	353.78	Calculated Property
Cp,gas	302.35	J/mol×K	434.56	Calculated Property
Cp,gas	344.26	J/mol×K	515.33	Calculated Property
Cp,gas	380.22	J/mol×K	596.11	Calculated Property
Cp,gas	410.99	J/mol×K	676.89	Calculated Property
Cp,gas	437.29	J/mol×K	757.67	Calculated Property
Cp,gas	459.88	J/mol×K	838.44	Calculated Property
Cp,gas	479.49	J/mol×K	919.22	Calculated Property
Cp,gas	496.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039811; 0.0001292]	Pa×s	[353.73; 596.89]	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			-1.39409e+01
Coefficient B			2.97653e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			353.73
Temperature range, max.			596.89
η	0.0039811	Pa×s	353.73	Calculated Property
η	0.0021912	Pa×s	380.75	Calculated Property
η	0.0013054	Pa×s	407.76	Calculated Property
η	0.0008294	Pa×s	434.78	Calculated Property
η	0.0005556	Pa×s	461.80	Calculated Property
η	0.0003891	Pa×s	488.82	Calculated Property
η	0.0002829	Pa×s	515.83	Calculated Property
η	0.0002122	Pa×s	542.85	Calculated Property
η	0.0001637	Pa×s	569.87	Calculated Property
η	0.0001292	Pa×s	596.89	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-(2-hydroxypropyl).

Sources

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

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