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

InChI

InChI=1S/C20H28O6/c1-3-5-8-11-25-18(21)16-9-6-7-10-17(16)19(22)26-14-20(4-2)12-23-15-24-13-20/h6-7,9-10H,3-5,8,11-15H2,1-2H3

InChI Key

CJKQETIMCSKERE-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

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

Molecular Weight¹

364.43

• 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°	-400.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.11	kJ/mol	Joback Calculated Property
ΔfusH°	48.28	kJ/mol	Joback Calculated Property
ΔvapH°	89.66	kJ/mol	Joback Calculated Property
log10WS	-4.47		Crippen Calculated Property
logPoct/wat	3.591		Crippen Calculated Property
McVol	284.660	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[2782.00; 2782.00]
Inp	2782.00		NIST
Inp	2782.00		NIST
Tboil	914.93	K	Joback Calculated Property
Tc	1138.93	K	Joback Calculated Property
Tfus	582.84	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[936.10; 1036.24]	J/mol×K	[914.93; 1138.93]
Cp,gas	936.10	J/mol×K	914.93	Joback Calculated Property
Cp,gas	954.06	J/mol×K	952.26	Joback Calculated Property
Cp,gas	971.35	J/mol×K	989.60	Joback Calculated Property
Cp,gas	988.09	J/mol×K	1026.93	Joback Calculated Property
Cp,gas	1004.41	J/mol×K	1064.26	Joback Calculated Property
Cp,gas	1020.41	J/mol×K	1101.59	Joback Calculated Property
Cp,gas	1036.24	J/mol×K	1138.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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