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

InChI

InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-34-30(32)23-17-18-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,29H,5-20,22-27H2,1-4H3

InChI Key

UWHNXSUQQGGPQW-UHFFFAOYSA-N

Formula

C31H58O4

SMILES

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

Molecular Weight¹

494.79

• 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°	-188.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1070.62	kJ/mol	Joback Calculated Property
ΔfusH°	76.99	kJ/mol	Joback Calculated Property
ΔvapH°	102.56	kJ/mol	Joback Calculated Property
log10WS	-10.14		Crippen Calculated Property
logPoct/wat	9.497		Crippen Calculated Property
McVol	458.230	ml/mol	McGowan Calculated Property
Pc	613.60	kPa	Joback Calculated Property
Inp	[3367.00; 3367.00]
Inp	3367.00		NIST
Inp	3367.00		NIST
Tboil	1064.86	K	Joback Calculated Property
Tc	1335.88	K	Joback Calculated Property
Tfus	549.41	K	Joback Calculated Property
Vc	1.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1642.42; 1756.01]	J/mol×K	[1064.86; 1335.88]
Cp,gas	1642.42	J/mol×K	1064.86	Joback Calculated Property
Cp,gas	1666.59	J/mol×K	1110.03	Joback Calculated Property
Cp,gas	1688.47	J/mol×K	1155.20	Joback Calculated Property
Cp,gas	1708.19	J/mol×K	1200.37	Joback Calculated Property
Cp,gas	1725.92	J/mol×K	1245.54	Joback Calculated Property
Cp,gas	1741.81	J/mol×K	1290.71	Joback Calculated Property
Cp,gas	1756.01	J/mol×K	1335.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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