Chemical Properties of Adipic acid, 3-methylbut-3-enyl tetradecyl ester

InChI

InChI=1S/C25H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-28-24(26)18-15-16-19-25(27)29-22-20-23(2)3/h2,4-22H2,1,3H3

InChI Key

DYJYLORRSYIMIE-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

C=C(C)CCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC

Molecular Weight¹

410.63

• 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	1.1731		Relay (... Calculated Property
ΔfG°	-228.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	63.49	kJ/mol	Joback Calculated Property
ΔvapH°	115.63	kJ/mol	Relay (... Calculated Property
IE	9.29	eV	Relay (... Calculated Property
log10WS	-6.47		Relay (... Calculated Property
logPoct/wat	7.300		Crippen Calculated Property
McVol	373.690	ml/mol	McGowan Calculated Property
Pc	826.21	kPa	Joback Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	660.50	K	Relay (... Calculated Property
Tc	818.69	K	Relay (... Calculated Property
Tfus	290.07	K	Relay (... Calculated Property
Vc	1.428	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1251.49; 1351.50]	J/mol×K	[920.54; 1128.93]
Cp,gas	1251.49	J/mol×K	920.54	Joback Calculated Property
Cp,gas	1271.58	J/mol×K	955.27	Joback Calculated Property
Cp,gas	1290.25	J/mol×K	990.00	Joback Calculated Property
Cp,gas	1307.53	J/mol×K	1024.74	Joback Calculated Property
Cp,gas	1323.46	J/mol×K	1059.47	Joback Calculated Property
Cp,gas	1338.11	J/mol×K	1094.20	Joback Calculated Property
Cp,gas	1351.50	J/mol×K	1128.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3-methylbut-3-enyl tetradecyl ester.

Sources

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

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