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

InChI

InChI=1S/C18H24O6/c1-3-9-23-16(19)14-7-5-6-8-15(14)17(20)24-12-18(4-2)10-21-13-22-11-18/h5-8H,3-4,9-13H2,1-2H3

InChI Key

ZMLOEDAYCZMNBY-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

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

Molecular Weight¹

336.38

• 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	0.8467		Relay (1.0) Calculated Property
ΔfG°	-417.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-999.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.10	kJ/mol	Joback Calculated Property
ΔvapH°	93.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	2.811		Crippen Calculated Property
McVol	256.480	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
Inp	[2488.00; 2488.00]
Inp	2488.00		NIST
Inp	2488.00		NIST
Tboil	660.24	K	Relay (1.0) Calculated Property
Tc	864.92	K	Relay (1.0) Calculated Property
Tfus	293.97	K	Relay (1.0) Calculated Property
Vc	0.934	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.23; 910.92]	J/mol×K	[869.17; 1095.89]
Cp,gas	816.23	J/mol×K	869.17	Joback Calculated Property
Cp,gas	833.40	J/mol×K	906.96	Joback Calculated Property
Cp,gas	849.85	J/mol×K	944.74	Joback Calculated Property
Cp,gas	865.72	J/mol×K	982.53	Joback Calculated Property
Cp,gas	881.10	J/mol×K	1020.31	Joback Calculated Property
Cp,gas	896.13	J/mol×K	1058.10	Joback Calculated Property
Cp,gas	910.92	J/mol×K	1095.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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