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

InChI

InChI=1S/C23H34O6/c1-3-5-6-7-8-11-14-28-21(24)19-12-9-10-13-20(19)22(25)29-17-23(4-2)15-26-18-27-16-23/h9-10,12-13H,3-8,11,14-18H2,1-2H3

InChI Key

OSUNTTFZNDIIDA-UHFFFAOYSA-N

Formula

C23H34O6

SMILES

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

Molecular Weight¹

406.51

• 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	1.0452		Relay (1.0) Calculated Property
ΔfG°	-375.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1104.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.05	kJ/mol	Joback Calculated Property
ΔvapH°	112.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	4.761		Crippen Calculated Property
McVol	326.930	ml/mol	McGowan Calculated Property
Pc	1288.36	kPa	Joback Calculated Property
Inp	[3090.00; 3090.00]
Inp	3090.00		NIST
Inp	3090.00		NIST
Tboil	695.33	K	Relay (1.0) Calculated Property
Tc	905.54	K	Relay (1.0) Calculated Property
Tfus	297.92	K	Relay (1.0) Calculated Property
Vc	1.205	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1122.28; 1232.43]	J/mol×K	[983.57; 1209.39]
Cp,gas	1122.28	J/mol×K	983.57	Joback Calculated Property
Cp,gas	1141.70	J/mol×K	1021.21	Joback Calculated Property
Cp,gas	1160.51	J/mol×K	1058.84	Joback Calculated Property
Cp,gas	1178.86	J/mol×K	1096.48	Joback Calculated Property
Cp,gas	1196.86	J/mol×K	1134.12	Joback Calculated Property
Cp,gas	1214.68	J/mol×K	1171.75	Joback Calculated Property
Cp,gas	1232.43	J/mol×K	1209.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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