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

InChI

InChI=1S/C26H40O6/c1-3-5-6-7-8-9-10-11-14-17-31-24(27)22-15-12-13-16-23(22)25(28)32-20-26(4-2)18-29-21-30-19-26/h12-13,15-16H,3-11,14,17-21H2,1-2H3

InChI Key

RHZWBSDIJYPVAE-UHFFFAOYSA-N

Formula

C26H40O6

SMILES

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

Molecular Weight¹

448.59

• 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	1.1584		Relay (1.0) Calculated Property
ΔfG°	-350.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1167.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.82	kJ/mol	Joback Calculated Property
ΔvapH°	123.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	5.932		Crippen Calculated Property
McVol	369.200	ml/mol	McGowan Calculated Property
Pc	1058.26	kPa	Joback Calculated Property
Inp	[3031.00; 3031.00]
Inp	3031.00		NIST
Inp	3031.00		NIST
Tboil	715.16	K	Relay (1.0) Calculated Property
Tc	926.31	K	Relay (1.0) Calculated Property
Tfus	300.90	K	Relay (1.0) Calculated Property
Vc	1.366	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.29; 1439.90]	J/mol×K	[1052.21; 1288.21]
Cp,gas	1315.29	J/mol×K	1052.21	Joback Calculated Property
Cp,gas	1336.82	J/mol×K	1091.54	Joback Calculated Property
Cp,gas	1357.82	J/mol×K	1130.88	Joback Calculated Property
Cp,gas	1378.45	J/mol×K	1170.21	Joback Calculated Property
Cp,gas	1398.90	J/mol×K	1209.54	Joback Calculated Property
Cp,gas	1419.33	J/mol×K	1248.88	Joback Calculated Property
Cp,gas	1439.90	J/mol×K	1288.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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