Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl neryl ester

InChI

InChI=1S/C17H25F3O4/c1-12(2)6-5-7-13(3)10-11-23-15(21)8-9-16(22)24-14(4)17(18,19)20/h6,10,14H,5,7-9,11H2,1-4H3/b13-10-

InChI Key

XSNRVDTXUWIVPF-RAXLEYEMSA-N

Formula

C17H25F3O4

SMILES

CC(C)=CCCC(C)=CCOC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

350.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.61	kJ/mol	Joback Calculated Property
logPoct/wat	4.497		Crippen Calculated Property
McVol	261.980	ml/mol	McGowan Calculated Property
Inp	[1812.00; 1812.00]
Inp	1812.00		NIST
Inp	1812.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[393.91; 874.11]	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			2.62500e+00
Coefficient B			1.71618e+00
Coefficient C			-1.10820e-03
Coefficient D			2.63500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.91	J/mol×K	273.00	Calculated Property
Cp,gas	482.74	J/mol×K	353.78	Calculated Property
Cp,gas	560.75	J/mol×K	434.56	Calculated Property
Cp,gas	628.79	J/mol×K	515.33	Calculated Property
Cp,gas	687.68	J/mol×K	596.11	Calculated Property
Cp,gas	738.26	J/mol×K	676.89	Calculated Property
Cp,gas	781.35	J/mol×K	757.67	Calculated Property
Cp,gas	817.81	J/mol×K	838.44	Calculated Property
Cp,gas	848.44	J/mol×K	919.22	Calculated Property
Cp,gas	874.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl neryl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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