Chemical Properties of Adipic acid, «beta»-citronellyl isobutyl ester

InChI

InChI=1S/C20H36O4/c1-16(2)9-8-10-18(5)13-14-23-19(21)11-6-7-12-20(22)24-15-17(3)4/h9,17-18H,6-8,10-15H2,1-5H3

InChI Key

PUYZMUIRNVXGCD-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CC(C)=CCCC(C)CCOC(=O)CCCCC(=O)OCC(C)C

Molecular Weight¹

340.50

• 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°	-283.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.86	kJ/mol	Joback Calculated Property
ΔfusH°	44.98	kJ/mol	Joback Calculated Property
ΔvapH°	77.69	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	5.062		Crippen Calculated Property
McVol	303.240	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[2241.00; 2241.00]
Inp	2241.00		NIST
Inp	2241.00		NIST
Tboil	812.74	K	Joback Calculated Property
Tc	1001.90	K	Joback Calculated Property
Tfus	410.44	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[944.47; 1037.17]	J/mol×K	[812.74; 1001.90]
Cp,gas	944.47	J/mol×K	812.74	Joback Calculated Property
Cp,gas	962.43	J/mol×K	844.27	Joback Calculated Property
Cp,gas	979.35	J/mol×K	875.79	Joback Calculated Property
Cp,gas	995.26	J/mol×K	907.32	Joback Calculated Property
Cp,gas	1010.18	J/mol×K	938.85	Joback Calculated Property
Cp,gas	1024.14	J/mol×K	970.38	Joback Calculated Property
Cp,gas	1037.17	J/mol×K	1001.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, «beta»-citronellyl isobutyl ester.

Sources

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

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