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

InChI

InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-33-29(31)22-16-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,28H,5-19,21-26H2,1-4H3

InChI Key

PLHZYVHXJZJSTE-UHFFFAOYSA-N

Formula

C30H56O4

SMILES

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

Molecular Weight¹

480.76

• 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	-1203.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	77.56	kJ/mol	Joback Calculated Property
ΔvapH°	131.77	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	9.107		Crippen Calculated Property
McVol	444.140	ml/mol	McGowan Calculated Property
Pc	617.87	kPa	Joback Calculated Property
Inp	[3267.00; 3267.00]
Inp	3267.00		NIST
Inp	3267.00		NIST
Tboil	685.07	K	Relay (1.0) Calculated Property
Tc	855.51	K	Relay (1.0) Calculated Property
Tfus	277.18	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.40; 1552.96]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.08810e+01
Coefficient B			2.77008e+00
Coefficient C			-1.50830e-03
Coefficient D			2.80300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	660.40	J/mol×K	273.00	Calculated Property
Cp,gas	814.51	J/mol×K	353.78	Calculated Property
Cp,gas	952.81	J/mol×K	434.56	Calculated Property
Cp,gas	1076.20	J/mol×K	515.33	Calculated Property
Cp,gas	1185.56	J/mol×K	596.11	Calculated Property
Cp,gas	1281.78	J/mol×K	676.89	Calculated Property
Cp,gas	1365.74	J/mol×K	757.67	Calculated Property
Cp,gas	1438.33	J/mol×K	838.44	Calculated Property
Cp,gas	1500.45	J/mol×K	919.22	Calculated Property
Cp,gas	1552.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

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