Chemical Properties of Phthalic acid, 5-ethyl-1,3-dioxan-5-yl heptyl ester

InChI

InChI=1S/C22H32O6/c1-3-5-6-7-10-13-27-20(23)18-11-8-9-12-19(18)21(24)28-16-22(4-2)14-25-17-26-15-22/h8-9,11-12H,3-7,10,13-17H2,1-2H3

InChI Key

QXGGUADEGZIDGA-UHFFFAOYSA-N

Formula

C22H32O6

SMILES

CCCCCCCOC(=O)c1ccccc1C(=O)OCC1(CC)COCOC1

Molecular Weight¹

392.49

• 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°	-383.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.39	kJ/mol	Joback Calculated Property
ΔfusH°	53.46	kJ/mol	Joback Calculated Property
ΔvapH°	94.11	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.371		Crippen Calculated Property
McVol	312.840	ml/mol	McGowan Calculated Property
Pc	1381.96	kPa	Joback Calculated Property
Inp	[2986.00; 2986.00]
Inp	2986.00		NIST
Inp	2986.00		NIST
Tboil	960.69	K	Joback Calculated Property
Tc	1185.05	K	Joback Calculated Property
Tfus	605.38	K	Joback Calculated Property
Vc	1.181	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1059.42; 1165.87]	J/mol×K	[960.69; 1185.05]
Cp,gas	1059.42	J/mol×K	960.69	Joback Calculated Property
Cp,gas	1078.30	J/mol×K	998.08	Joback Calculated Property
Cp,gas	1096.55	J/mol×K	1035.48	Joback Calculated Property
Cp,gas	1114.30	J/mol×K	1072.87	Joback Calculated Property
Cp,gas	1131.69	J/mol×K	1110.26	Joback Calculated Property
Cp,gas	1148.83	J/mol×K	1147.66	Joback Calculated Property
Cp,gas	1165.87	J/mol×K	1185.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 5-ethyl-1,3-dioxan-5-yl heptyl ester.

Sources

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

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