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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-590.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-856.62	kJ/mol	Joback Calculated Property
ΔfusH°	17.70	kJ/mol	Joback Calculated Property
ΔvapH°	46.36	kJ/mol	Joback Calculated Property
log10WS	-3.18		Crippen Calculated Property
logPoct/wat	2.940		Crippen Calculated Property
McVol	150.030	ml/mol	McGowan Calculated Property
Pc	2571.50	kPa	Joback Calculated Property
Inp	[1128.00; 1128.00]
Inp	1128.00		NIST
Inp	1128.00		NIST
Tboil	529.23	K	Joback Calculated Property
Tc	734.20	K	Joback Calculated Property
Tfus	300.01	K	Joback Calculated Property
Vc	0.570	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[359.33; 442.47]	J/mol×K	[529.23; 734.20]
Cp,gas	359.33	J/mol×K	529.23	Joback Calculated Property
Cp,gas	375.48	J/mol×K	563.39	Joback Calculated Property
Cp,gas	390.69	J/mol×K	597.55	Joback Calculated Property
Cp,gas	404.96	J/mol×K	631.71	Joback Calculated Property
Cp,gas	418.33	J/mol×K	665.87	Joback Calculated Property
Cp,gas	430.83	J/mol×K	700.03	Joback Calculated Property
Cp,gas	442.47	J/mol×K	734.20	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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