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, 1,3-dihydro-
• Isobenzofuran

• 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).
• 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
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
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	1.717		Crippen Calculated Property
McVol	94.830	ml/mol	McGowan Calculated Property
Pc	4285.00 ± 400.00	kPa	NIST
ρc	337.26 ± 20.43	kg/m3	NIST
Tboil	465.20	K	NIST
Tc	700.00 ± 4.00	K	NIST
Tfus	267.61	K	Joback Calculated Property
Vc	0.354	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.41; 250.67]	J/mol×K	[452.46; 681.73]
Cp,gas	187.41	J/mol×K	452.46	Joback Calculated Property
Cp,gas	200.19	J/mol×K	490.67	Joback Calculated Property
Cp,gas	211.99	J/mol×K	528.88	Joback Calculated Property
Cp,gas	222.87	J/mol×K	567.10	Joback Calculated Property
Cp,gas	232.90	J/mol×K	605.31	Joback Calculated Property
Cp,gas	242.14	J/mol×K	643.52	Joback Calculated Property
Cp,gas	250.67	J/mol×K	681.73	Joback Calculated Property
Cp,liquid	188.70	J/mol×K	298.15	NIST
η	[0.0004412; 0.0020452]	Pa×s	[267.61; 452.46]
η	0.0020452	Pa×s	267.61	Joback Calculated Property
η	0.0013881	Pa×s	298.42	Joback Calculated Property
η	0.0010130	Pa×s	329.23	Joback Calculated Property
η	0.0007802	Pa×s	360.04	Joback Calculated Property
η	0.0006262	Pa×s	390.84	Joback Calculated Property
η	0.0005189	Pa×s	421.65	Joback Calculated Property
η	0.0004412	Pa×s	452.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalan.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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