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

InChI

InChI=1S/C19H34O4/c1-4-5-6-7-8-11-15-22-18(20)12-9-10-13-19(21)23-16-14-17(2)3/h2,4-16H2,1,3H3

InChI Key

XZTFAMYRMAZKPY-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

C=C(C)CCOC(=O)CCCCC(=O)OCCCCCCCC

Molecular Weight¹

326.47

• 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).
• 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
ΔfG°	-279.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-809.45	kJ/mol	Joback Calculated Property
ΔfusH°	47.95	kJ/mol	Joback Calculated Property
ΔvapH°	75.61	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.960		Crippen Calculated Property
McVol	289.150	ml/mol	McGowan Calculated Property
Pc	1186.60	kPa	Joback Calculated Property
Inp	[2216.00; 2216.00]
Inp	2216.00		NIST
Inp	2216.00		NIST
Tboil	783.26	K	Joback Calculated Property
Tc	965.76	K	Joback Calculated Property
Tfus	432.49	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[882.14; 972.45]	J/mol×K	[783.26; 965.76]
Cp,gas	882.14	J/mol×K	783.26	Joback Calculated Property
Cp,gas	899.52	J/mol×K	813.68	Joback Calculated Property
Cp,gas	915.95	J/mol×K	844.09	Joback Calculated Property
Cp,gas	931.43	J/mol×K	874.51	Joback Calculated Property
Cp,gas	946.00	J/mol×K	904.93	Joback Calculated Property
Cp,gas	959.67	J/mol×K	935.34	Joback Calculated Property
Cp,gas	972.45	J/mol×K	965.76	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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