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

InChI

InChI=1S/C22H40O4/c1-5-6-7-10-17-25-21(23)14-8-9-15-22(24)26-18-16-20(4)13-11-12-19(2)3/h12,20H,5-11,13-18H2,1-4H3

InChI Key

BJWHYGMLVLNTDB-UHFFFAOYSA-N

Formula

C22H40O4

SMILES

CCCCCCOC(=O)CCCCC(=O)OCCC(C)CCC=C(C)C

Molecular Weight¹

368.55

• 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°	-264.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-884.86	kJ/mol	Joback Calculated Property
ΔfusH°	53.68	kJ/mol	Joback Calculated Property
ΔvapH°	82.53	kJ/mol	Joback Calculated Property
log10WS	-6.37		Crippen Calculated Property
logPoct/wat	5.986		Crippen Calculated Property
McVol	331.420	ml/mol	McGowan Calculated Property
Pc	993.25	kPa	Joback Calculated Property
Inp	[2477.00; 2477.00]
Inp	2477.00		NIST
Inp	2477.00		NIST
Tboil	858.94	K	Joback Calculated Property
Tc	1052.73	K	Joback Calculated Property
Tfus	447.98	K	Joback Calculated Property
Vc	1.290	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1065.90; 1161.26]	J/mol×K	[858.94; 1052.73]
Cp,gas	1065.90	J/mol×K	858.94	Joback Calculated Property
Cp,gas	1084.51	J/mol×K	891.24	Joback Calculated Property
Cp,gas	1101.99	J/mol×K	923.54	Joback Calculated Property
Cp,gas	1118.37	J/mol×K	955.83	Joback Calculated Property
Cp,gas	1133.69	J/mol×K	988.13	Joback Calculated Property
Cp,gas	1147.97	J/mol×K	1020.43	Joback Calculated Property
Cp,gas	1161.26	J/mol×K	1052.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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