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

InChI

InChI=1S/C24H36O6/c1-3-5-6-7-8-9-12-15-29-22(25)20-13-10-11-14-21(20)23(26)30-18-24(4-2)16-27-19-28-17-24/h10-11,13-14H,3-9,12,15-19H2,1-2H3

InChI Key

LCTSBXULSPASMD-UHFFFAOYSA-N

Formula

C24H36O6

SMILES

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

Molecular Weight¹

420.54

• 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	1.0837		Relay (1.0) Calculated Property
ΔfG°	-367.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1124.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.64	kJ/mol	Joback Calculated Property
ΔvapH°	116.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	5.152		Crippen Calculated Property
McVol	341.020	ml/mol	McGowan Calculated Property
Pc	1203.96	kPa	Joback Calculated Property
Inp	[3194.00; 3194.00]
Inp	3194.00		NIST
Inp	3194.00		NIST
Tboil	701.98	K	Relay (1.0) Calculated Property
Tc	912.74	K	Relay (1.0) Calculated Property
Tfus	298.74	K	Relay (1.0) Calculated Property
Vc	1.259	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1185.90; 1300.23]	J/mol×K	[1006.45; 1234.66]
Cp,gas	1185.90	J/mol×K	1006.45	Joback Calculated Property
Cp,gas	1205.93	J/mol×K	1044.48	Joback Calculated Property
Cp,gas	1225.37	J/mol×K	1082.52	Joback Calculated Property
Cp,gas	1244.38	J/mol×K	1120.55	Joback Calculated Property
Cp,gas	1263.10	J/mol×K	1158.59	Joback Calculated Property
Cp,gas	1281.67	J/mol×K	1196.62	Joback Calculated Property
Cp,gas	1300.23	J/mol×K	1234.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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