Chemical Properties of Isobutylidene phthalide

InChI

InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7-

InChI Key

LYSNVWBBICAAMS-XFFZJAGNSA-N

Formula

C12H12O2

SMILES

CC(C)C=C1OC(=O)c2ccccc21

Molecular Weight¹

188.22

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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	0.5346		Relay (1.0) Calculated Property
ΔfG°	55.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.84	kJ/mol	Joback Calculated Property
ΔvapH°	71.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	2.854		Crippen Calculated Property
McVol	148.460	ml/mol	McGowan Calculated Property
Pc	2992.59	kPa	Joback Calculated Property
I	[2543.00; 2563.00]
I	2543.00		NIST
I	2563.00		NIST
Tboil	562.65	K	Relay (1.0) Calculated Property
Tc	791.78	K	Relay (1.0) Calculated Property
Tfus	335.47	K	Relay (1.0) Calculated Property
Vc	0.547	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.42; 444.46]	J/mol×K	[618.00; 858.31]
Cp,gas	370.42	J/mol×K	618.00	Joback Calculated Property
Cp,gas	385.06	J/mol×K	658.05	Joback Calculated Property
Cp,gas	398.71	J/mol×K	698.10	Joback Calculated Property
Cp,gas	411.42	J/mol×K	738.15	Joback Calculated Property
Cp,gas	423.25	J/mol×K	778.20	Joback Calculated Property
Cp,gas	434.25	J/mol×K	818.25	Joback Calculated Property
Cp,gas	444.46	J/mol×K	858.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutylidene phthalide.

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.