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

InChI

InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-15-22-30-26(28)19-13-14-20-27(29)31-23-21-25(4)18-16-17-24(2)3/h17,25H,5-16,18-23H2,1-4H3

InChI Key

WHAUZJIEYLDUJL-UHFFFAOYSA-N

Formula

C27H50O4

SMILES

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

Molecular Weight¹

438.68

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1142.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.79	kJ/mol	Joback Calculated Property
ΔvapH°	120.06	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	7.937		Crippen Calculated Property
McVol	401.870	ml/mol	McGowan Calculated Property
Pc	716.83	kPa	Joback Calculated Property
Inp	[2962.00; 2962.00]
Inp	2962.00		NIST
Inp	2962.00		NIST
Tboil	665.30	K	Relay (1.0) Calculated Property
Tc	835.68	K	Relay (1.0) Calculated Property
Tfus	266.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1362.64; 1465.05]	J/mol×K	[937.40; 1151.35]
Cp,gas	1362.64	J/mol×K	937.40	Joback Calculated Property
Cp,gas	1383.50	J/mol×K	973.06	Joback Calculated Property
Cp,gas	1402.75	J/mol×K	1008.72	Joback Calculated Property
Cp,gas	1420.47	J/mol×K	1044.38	Joback Calculated Property
Cp,gas	1436.71	J/mol×K	1080.03	Joback Calculated Property
Cp,gas	1451.55	J/mol×K	1115.69	Joback Calculated Property
Cp,gas	1465.05	J/mol×K	1151.35	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.