Chemical Properties of Bis(3-methylbut-3-enyl) phthalate (CAS 22711-53-1)

InChI

InChI=1S/C18H22O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8H,1,3,9-12H2,2,4H3

InChI Key

PKKCFZFIVBCZMZ-UHFFFAOYSA-N

Formula

C18H22O4

SMILES

C=C(C)CCOC(=O)c1ccccc1C(=O)OCCC(=C)C

Molecular Weight¹

302.36

CAS

22711-53-1

Other Names

• 1,2-Benzenedicarboxylic acid, bis(3-methylbut-3-enyl) ester
• Bis(3-methylbut-3-enyl)-1,2-benzenedicarboxylate
• Phthalic acid, di(3-methylbut-3-enyl) ester

• 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_np : Non-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	0.8191		Relay (1.0) Calculated Property
ΔfG°	-105.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-618.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.42	kJ/mol	Joback Calculated Property
ΔvapH°	87.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	247.000	ml/mol	McGowan Calculated Property
Pc	1674.16	kPa	Joback Calculated Property
Inp	[2116.00; 2118.00]
Inp	2116.00		NIST
Inp	2118.00		NIST
Inp	2116.00		NIST
Tboil	631.05	K	Relay (1.0) Calculated Property
Tc	816.57	K	Relay (1.0) Calculated Property
Tfus	266.83	K	Relay (1.0) Calculated Property
Vc	0.886	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.30; 783.16]	J/mol×K	[788.60; 997.40]
Cp,gas	708.30	J/mol×K	788.60	Joback Calculated Property
Cp,gas	723.27	J/mol×K	823.40	Joback Calculated Property
Cp,gas	737.21	J/mol×K	858.20	Joback Calculated Property
Cp,gas	750.13	J/mol×K	893.00	Joback Calculated Property
Cp,gas	762.08	J/mol×K	927.80	Joback Calculated Property
Cp,gas	773.08	J/mol×K	962.60	Joback Calculated Property
Cp,gas	783.16	J/mol×K	997.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bis(3-methylbut-3-enyl) phthalate.

Sources

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

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