Chemical Properties of Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C18H25F3O4/c1-11(18(19,20)21)25-16(23)6-4-5-15(22)24-10-12-7-8-13-9-14(12)17(13,2)3/h7,11,13-14H,4-6,8-10H2,1-3H3

InChI Key

KDPBABZVCVHWMJ-UHFFFAOYSA-N

Formula

C18H25F3O4

SMILES

CC(OC(=O)CCCC(=O)OCC1=CCC2CC1C2(C)C)C(F)(F)F

Molecular Weight¹

362.39

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.19	kJ/mol	Joback Calculated Property
logPoct/wat	4.186		Crippen Calculated Property
McVol	258.650	ml/mol	McGowan Calculated Property
Inp	[1887.00; 1887.00]
Inp	1887.00		NIST
Inp	1887.00		NIST
Tboil	587.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.85; 896.78]	J/mol×K	[739.48; 927.88]
Cp,gas	804.85	J/mol×K	739.48	Joback Calculated Property
Cp,gas	821.81	J/mol×K	770.88	Joback Calculated Property
Cp,gas	837.96	J/mol×K	802.28	Joback Calculated Property
Cp,gas	853.43	J/mol×K	833.68	Joback Calculated Property
Cp,gas	868.31	J/mol×K	865.08	Joback Calculated Property
Cp,gas	882.73	J/mol×K	896.48	Joback Calculated Property
Cp,gas	896.78	J/mol×K	927.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl 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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