Chemical Properties of Benzalphthalide

InChI

InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-

InChI Key

YRTPZXMEBGTPLM-UVTDQMKNSA-N

Formula

C15H10O2

SMILES

O=C1O/C(=C\c2ccccc2)c2ccccc21

Molecular Weight¹

222.24

Other Names

• 3-Benzalphthalide
• 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-
• Phthalide, 3-benzylidene-
• 3-Benzylidenephthalide
• Benzalphthalid

• 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).
• 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).
• 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

Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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	[204.45; 496.75]	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			-7.36900e+01
Coefficient B			1.27580e+00
Coefficient C			-1.02986e-03
Coefficient D			3.24500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.45	J/mol×K	273.00	Calculated Property
Cp,gas	263.13	J/mol×K	353.78	Calculated Property
Cp,gas	312.87	J/mol×K	434.56	Calculated Property
Cp,gas	354.68	J/mol×K	515.33	Calculated Property
Cp,gas	389.61	J/mol×K	596.11	Calculated Property
Cp,gas	418.66	J/mol×K	676.89	Calculated Property
Cp,gas	442.88	J/mol×K	757.67	Calculated Property
Cp,gas	463.28	J/mol×K	838.44	Calculated Property
Cp,gas	480.90	J/mol×K	919.22	Calculated Property
Cp,gas	496.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016284; 0.0004965]	Pa×s	[406.08; 639.27]	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			-9.67623e+00
Coefficient B			1.32223e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			406.08
Temperature range, max.			639.27
η	0.0016284	Pa×s	406.08	Calculated Property
η	0.0013395	Pa×s	431.99	Calculated Property
η	0.0011265	Pa×s	457.90	Calculated Property
η	0.0009651	Pa×s	483.81	Calculated Property
η	0.0008399	Pa×s	509.72	Calculated Property
η	0.0007409	Pa×s	535.63	Calculated Property
η	0.0006611	Pa×s	561.54	Calculated Property
η	0.0005959	Pa×s	587.45	Calculated Property
η	0.0005419	Pa×s	613.36	Calculated Property
η	0.0004965	Pa×s	639.27	Calculated Property

Similar Compounds

Find more compounds similar to Benzalphthalide.

Sources

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

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