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

InChI

InChI=1S/C30H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,21-22H,2,4-17,20,23-25H2,1,3H3

InChI Key

FVTSQWTVWBIJMT-UHFFFAOYSA-N

Formula

C30H48O4

SMILES

C=C(C)CCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

472.70

• 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°	-84.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.43	kJ/mol	Joback Calculated Property
ΔfusH°	70.09	kJ/mol	Joback Calculated Property
ΔvapH°	103.03	kJ/mol	Joback Calculated Property
log10WS	-10.18		Crippen Calculated Property
logPoct/wat	8.838		Crippen Calculated Property
McVol	420.380	ml/mol	McGowan Calculated Property
Pc	753.50	kPa	Joback Calculated Property
Inp	[3348.00; 3348.00]
Inp	3348.00		NIST
Inp	3348.00		NIST
Tboil	1066.60	K	Joback Calculated Property
Tc	1316.10	K	Joback Calculated Property
Tfus	595.40	K	Joback Calculated Property
Vc	1.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1465.70; 1550.85]	J/mol×K	[1066.60; 1316.10]
Cp,gas	1465.70	J/mol×K	1066.60	Joback Calculated Property
Cp,gas	1484.28	J/mol×K	1108.18	Joback Calculated Property
Cp,gas	1500.97	J/mol×K	1149.77	Joback Calculated Property
Cp,gas	1515.87	J/mol×K	1191.35	Joback Calculated Property
Cp,gas	1529.08	J/mol×K	1232.94	Joback Calculated Property
Cp,gas	1540.70	J/mol×K	1274.52	Joback Calculated Property
Cp,gas	1550.85	J/mol×K	1316.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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