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

InChI

InChI=1S/C19H26O6/c1-3-5-10-24-17(20)15-8-6-7-9-16(15)18(21)25-13-19(4-2)11-22-14-23-12-19/h6-9H,3-5,10-14H2,1-2H3

InChI Key

FQPAPVYQTHMASX-UHFFFAOYSA-N

Formula

C19H26O6

SMILES

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

Molecular Weight¹

350.41

• 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	0.8875		Relay (1.0) Calculated Property
ΔfG°	-409.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1020.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.69	kJ/mol	Joback Calculated Property
ΔvapH°	99.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	3.201		Crippen Calculated Property
McVol	270.570	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[2682.00; 2682.00]
Inp	2682.00		NIST
Inp	2682.00		NIST
Tboil	665.89	K	Relay (1.0) Calculated Property
Tc	873.79	K	Relay (1.0) Calculated Property
Tfus	288.71	K	Relay (1.0) Calculated Property
Vc	0.988	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[875.71; 973.06]	J/mol×K	[892.05; 1117.04]
Cp,gas	875.71	J/mol×K	892.05	Joback Calculated Property
Cp,gas	893.27	J/mol×K	929.55	Joback Calculated Property
Cp,gas	910.13	J/mol×K	967.05	Joback Calculated Property
Cp,gas	926.42	J/mol×K	1004.55	Joback Calculated Property
Cp,gas	942.26	J/mol×K	1042.05	Joback Calculated Property
Cp,gas	957.77	J/mol×K	1079.54	Joback Calculated Property
Cp,gas	973.06	J/mol×K	1117.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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