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

InChI

InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-32-28(30)21-15-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,27H,5-18,20-25H2,1-4H3

InChI Key

URSBKNYPEDFOPV-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

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

Molecular Weight¹

466.74

• 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°	-205.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1029.34	kJ/mol	Joback Calculated Property
ΔfusH°	71.81	kJ/mol	Joback Calculated Property
ΔvapH°	98.11	kJ/mol	Joback Calculated Property
log10WS	-9.30		Crippen Calculated Property
logPoct/wat	8.717		Crippen Calculated Property
McVol	430.050	ml/mol	McGowan Calculated Property
Pc	676.41	kPa	Joback Calculated Property
Inp	[3166.00; 3166.00]
Inp	3166.00		NIST
Inp	3166.00		NIST
Tboil	1019.10	K	Joback Calculated Property
Tc	1263.92	K	Joback Calculated Property
Tfus	526.87	K	Joback Calculated Property
Vc	1.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1511.42; 1620.02]	J/mol×K	[1019.10; 1263.92]
Cp,gas	1511.42	J/mol×K	1019.10	Joback Calculated Property
Cp,gas	1533.94	J/mol×K	1059.90	Joback Calculated Property
Cp,gas	1554.56	J/mol×K	1100.71	Joback Calculated Property
Cp,gas	1573.37	J/mol×K	1141.51	Joback Calculated Property
Cp,gas	1590.49	J/mol×K	1182.31	Joback Calculated Property
Cp,gas	1606.00	J/mol×K	1223.12	Joback Calculated Property
Cp,gas	1620.02	J/mol×K	1263.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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