Chemical Properties of (-)-Myrtenol, trifluoroacetate

InChI

InChI=1S/C12H15F3O2/c1-11(2)8-4-3-7(9(11)5-8)6-17-10(16)12(13,14)15/h3,8-9H,4-6H2,1-2H3

InChI Key

RPMAMEDCKREYSM-UHFFFAOYSA-N

Formula

C12H15F3O2

SMILES

CC1(C)C2CC=C(COC(=O)C(F)(F)F)C1C2

Molecular Weight¹

248.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.81	kJ/mol	Joback Calculated Property
ΔvapH°	62.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
logPoct/wat	3.084		Crippen Calculated Property
McVol	166.670	ml/mol	McGowan Calculated Property
Inp	[1172.00; 1172.00]
Inp	1172.00		NIST
Inp	1172.00		NIST
Tboil	480.83	K	Relay (1.0) Calculated Property
Tfus	296.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[440.23; 522.60]	J/mol×K	[544.42; 735.19]
Cp,gas	440.23	J/mol×K	544.42	Joback Calculated Property
Cp,gas	456.33	J/mol×K	576.21	Joback Calculated Property
Cp,gas	471.33	J/mol×K	608.01	Joback Calculated Property
Cp,gas	485.34	J/mol×K	639.80	Joback Calculated Property
Cp,gas	498.49	J/mol×K	671.60	Joback Calculated Property
Cp,gas	510.87	J/mol×K	703.39	Joback Calculated Property
Cp,gas	522.60	J/mol×K	735.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-Myrtenol, trifluoroacetate.

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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