Chemical Properties of Phthalan (CAS 496-14-0)

InChI

InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

InChI Key

SFLGSKRGOWRGBR-UHFFFAOYSA-N

Formula

C8H8O

SMILES

c1ccc2c(c1)COC2

Molecular Weight¹

120.15

CAS

496-14-0

Other Names

• 1,3-Dihydro isobenzofuran
• Isobenzofuran
• Isobenzofuran, 1,3-dihydro-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• ρ_c : Critical density (kg/m³).
• 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	0.3699		Relay (1.0) Calculated Property
ΔcH°liquid	-4207.57 ± 0.54	kJ/mol	NIST
ΔfG°	101.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-30.10 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-83.83 ± 0.93	kJ/mol	NIST
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	[53.70; 53.74]	kJ/mol
ΔvapH°	53.74 ± 0.42	kJ/mol	NIST
ΔvapH°	53.70	kJ/mol	NIST
ΔvapH°	53.70 ± 0.40	kJ/mol	NIST
ΔvapH°	53.74 ± 0.42	kJ/mol	NIST
ΔvapH°	53.70	kJ/mol	NIST
ΔvapH°	53.70 ± 0.40	kJ/mol	NIST
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-1.40		Relay (1.0) Calculated Property
logPoct/wat	1.717		Crippen Calculated Property
McVol	94.830	ml/mol	McGowan Calculated Property
Pc	[4285.00; 4285.00]	kPa
Pc	4285.00 ± 400.00	kPa	NIST
Pc	4285.00 ± 400.00	kPa	NIST
ρc	[337.26; 337.26]	kg/m3
ρc	337.26 ± 20.43	kg/m3	NIST
ρc	337.26 ± 20.43	kg/m3	NIST
Tboil	465.20	K	NIST
Tc	[700.00; 700.00]	K
Tc	700.00 ± 4.00	K	NIST
Tc	700.00 ± 4.00	K	NIST
Tfus	305.45	K	Relay (1.0) Calculated Property
Vc	0.341	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.14; 303.09]	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			-6.28500e+01
Coefficient B			7.99800e-01
Coefficient C			-6.37260e-04
Coefficient D			2.03400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.14	J/mol×K	273.00	Calculated Property
Cp,gas	149.35	J/mol×K	353.78	Calculated Property
Cp,gas	181.06	J/mol×K	434.56	Calculated Property
Cp,gas	207.91	J/mol×K	515.33	Calculated Property
Cp,gas	230.56	J/mol×K	596.11	Calculated Property
Cp,gas	249.63	J/mol×K	676.89	Calculated Property
Cp,gas	265.77	J/mol×K	757.67	Calculated Property
Cp,gas	279.64	J/mol×K	838.44	Calculated Property
Cp,gas	291.86	J/mol×K	919.22	Calculated Property
Cp,gas	303.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020452; 0.0003722]	Pa×s	[267.61; 490.00]	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			-9.94625e+00
Coefficient B			1.00460e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.61
Temperature range, max.			490.00
η	0.0020452	Pa×s	267.61	Calculated Property
η	0.0014891	Pa×s	292.32	Calculated Property
η	0.0011392	Pa×s	317.03	Calculated Property
η	0.0009059	Pa×s	341.74	Calculated Property
η	0.0007430	Pa×s	366.45	Calculated Property
η	0.0006249	Pa×s	391.16	Calculated Property
η	0.0005364	Pa×s	415.87	Calculated Property
η	0.0004685	Pa×s	440.58	Calculated Property
η	0.0004150	Pa×s	465.29	Calculated Property
η	0.0003722	Pa×s	490.00	Calculated Property

Similar Compounds

Find more compounds similar to Phthalan.

Sources

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

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