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

InChI

InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-16-23-31-27(29)20-14-15-21-28(30)32-24-22-26(4)19-17-18-25(2)3/h18,26H,5-17,19-24H2,1-4H3

InChI Key

IQLYIJFJWLLGEX-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

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

Molecular Weight¹

452.71

• 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°	-213.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1008.70	kJ/mol	Joback Calculated Property
ΔfusH°	69.22	kJ/mol	Joback Calculated Property
ΔvapH°	95.88	kJ/mol	Joback Calculated Property
log10WS	-8.88		Crippen Calculated Property
logPoct/wat	8.327		Crippen Calculated Property
McVol	415.960	ml/mol	McGowan Calculated Property
Pc	711.49	kPa	Joback Calculated Property
Inp	[3066.00; 3066.00]
Inp	3066.00		NIST
Inp	3066.00		NIST
Tboil	996.22	K	Joback Calculated Property
Tc	1230.18	K	Joback Calculated Property
Tfus	515.60	K	Joback Calculated Property
Vc	1.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1446.41; 1552.74]	J/mol×K	[996.22; 1230.18]
Cp,gas	1446.41	J/mol×K	996.22	Joback Calculated Property
Cp,gas	1468.21	J/mol×K	1035.21	Joback Calculated Property
Cp,gas	1488.26	J/mol×K	1074.21	Joback Calculated Property
Cp,gas	1506.66	J/mol×K	1113.20	Joback Calculated Property
Cp,gas	1523.48	J/mol×K	1152.19	Joback Calculated Property
Cp,gas	1538.81	J/mol×K	1191.19	Joback Calculated Property
Cp,gas	1552.74	J/mol×K	1230.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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