Chemical Properties of cis-3-Isobutylidene phthalide

InChI

InChI=1S/C12H12O2/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-8H,2-3H2,1H3/b10-6-

InChI Key

JISYXKUMJWTLQP-POHAHGRESA-N

Formula

C12H12O2

SMILES

CCCC=C1C(=O)Oc2ccccc21

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	0.5444		Relay (1.0) Calculated Property
ΔfG°	58.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.36	kJ/mol	Joback Calculated Property
ΔvapH°	69.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	2.789		Crippen Calculated Property
McVol	148.460	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
I	[2548.00; 2548.00]
I	2548.00		NIST
I	2548.00		NIST
Tboil	566.38	K	Relay (1.0) Calculated Property
Tc	794.67	K	Relay (1.0) Calculated Property
Tfus	312.97	K	Relay (1.0) Calculated Property
Vc	0.543	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.95; 442.57]	J/mol×K	[618.44; 853.60]
Cp,gas	369.95	J/mol×K	618.44	Joback Calculated Property
Cp,gas	384.23	J/mol×K	657.63	Joback Calculated Property
Cp,gas	397.57	J/mol×K	696.83	Joback Calculated Property
Cp,gas	410.03	J/mol×K	736.02	Joback Calculated Property
Cp,gas	421.65	J/mol×K	775.21	Joback Calculated Property
Cp,gas	432.48	J/mol×K	814.40	Joback Calculated Property
Cp,gas	442.57	J/mol×K	853.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Isobutylidene phthalide.

Sources

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

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