Chemical Properties of trans-4-Methylcyclohexanol, chlorodifluoroacetate

InChI

InChI=1S/C9H13ClF2O2/c1-6-2-4-7(5-3-6)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3

InChI Key

KFAUVOAPIPHBED-UHFFFAOYSA-N

Formula

C9H13ClF2O2

SMILES

CC1CCC(OC(=O)C(F)(F)Cl)CC1

Molecular Weight¹

226.65

• 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).
• 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°	19.28	kJ/mol	Joback Calculated Property
ΔvapH°	58.32	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.940		Crippen Calculated Property
McVol	150.030	ml/mol	McGowan Calculated Property
Inp	[1128.00; 1128.00]
Inp	1128.00		NIST
Inp	1128.00		NIST
Tboil	463.45	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, 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	[353.38; 438.64]	J/mol×K	[511.36; 713.56]
Cp,gas	353.38	J/mol×K	511.36	Joback Calculated Property
Cp,gas	369.99	J/mol×K	545.06	Joback Calculated Property
Cp,gas	385.61	J/mol×K	578.76	Joback Calculated Property
Cp,gas	400.26	J/mol×K	612.46	Joback Calculated Property
Cp,gas	413.96	J/mol×K	646.16	Joback Calculated Property
Cp,gas	426.75	J/mol×K	679.86	Joback Calculated Property
Cp,gas	438.64	J/mol×K	713.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-4-Methylcyclohexanol, chlorodifluoroacetate.

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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