Chemical Properties of Phthalic acid, 3-methylbut-3-enyl propyl ester

InChI

InChI=1S/C16H20O4/c1-4-10-19-15(17)13-7-5-6-8-14(13)16(18)20-11-9-12(2)3/h5-8H,2,4,9-11H2,1,3H3

InChI Key

JRNSWZSRAFPHKP-UHFFFAOYSA-N

Formula

C16H20O4

SMILES

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

Molecular Weight¹

276.33

• 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).
• 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
ΔfG°	-201.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-522.47	kJ/mol	Joback Calculated Property
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
ΔvapH°	71.87	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen Calculated Property
logPoct/wat	3.376		Crippen Calculated Property
McVol	223.120	ml/mol	McGowan Calculated Property
Pc	1892.00	kPa	Joback Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST
Tboil	746.28	K	Joback Calculated Property
Tc	953.48	K	Joback Calculated Property
Tfus	437.62	K	Joback Calculated Property
Vc	0.854	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.12; 697.34]	J/mol×K	[746.28; 953.48]
Cp,gas	623.12	J/mol×K	746.28	Joback Calculated Property
Cp,gas	637.87	J/mol×K	780.81	Joback Calculated Property
Cp,gas	651.65	J/mol×K	815.35	Joback Calculated Property
Cp,gas	664.46	J/mol×K	849.88	Joback Calculated Property
Cp,gas	676.34	J/mol×K	884.41	Joback Calculated Property
Cp,gas	687.29	J/mol×K	918.95	Joback Calculated Property
Cp,gas	697.34	J/mol×K	953.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-methylbut-3-enyl propyl ester.

Sources

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

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