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

InChI

InChI=1S/C17H22O6/c1-3-17(9-20-12-21-10-17)11-23-16(19)14-8-6-5-7-13(14)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3

InChI Key

JTPBZNSGYBLDSK-UHFFFAOYSA-N

Formula

C17H22O6

SMILES

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

Molecular Weight¹

322.35

• 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°	-426.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-853.19	kJ/mol	Joback Calculated Property
ΔfusH°	40.51	kJ/mol	Joback Calculated Property
ΔvapH°	82.98	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	2.421		Crippen Calculated Property
McVol	242.390	ml/mol	McGowan Calculated Property
Pc	2047.46	kPa	Joback Calculated Property
Inp	[2435.00; 2435.00]
Inp	2435.00		NIST
Inp	2435.00		NIST
Tboil	846.29	K	Joback Calculated Property
Tc	1075.41	K	Joback Calculated Property
Tfus	549.03	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.69; 849.79]	J/mol×K	[846.29; 1075.41]
Cp,gas	757.69	J/mol×K	846.29	Joback Calculated Property
Cp,gas	774.48	J/mol×K	884.48	Joback Calculated Property
Cp,gas	790.54	J/mol×K	922.66	Joback Calculated Property
Cp,gas	805.98	J/mol×K	960.85	Joback Calculated Property
Cp,gas	820.92	J/mol×K	999.04	Joback Calculated Property
Cp,gas	835.49	J/mol×K	1037.22	Joback Calculated Property
Cp,gas	849.79	J/mol×K	1075.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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