Chemical Properties of 2,2-Dimethyl-3-pentanol, chlorodifluoroacetate

InChI

InChI=1S/C9H15ClF2O2/c1-5-6(8(2,3)4)14-7(13)9(10,11)12/h6H,5H2,1-4H3

InChI Key

AQMSWNKBTGSBHG-UHFFFAOYSA-N

Formula

C9H15ClF2O2

SMILES

CCC(OC(=O)C(F)(F)Cl)C(C)(C)C

Molecular Weight¹

228.66

• 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°	-607.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-904.63	kJ/mol	Joback Calculated Property
ΔfusH°	13.86	kJ/mol	Joback Calculated Property
ΔvapH°	44.56	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	3.186		Crippen Calculated Property
McVol	160.890	ml/mol	McGowan Calculated Property
Pc	2231.30	kPa	Joback Calculated Property
Inp	[976.00; 976.00]
Inp	976.00		NIST
Inp	976.00		NIST
Tboil	510.68	K	Joback Calculated Property
Tc	696.92	K	Joback Calculated Property
Tfus	284.29	K	Joback Calculated Property
Vc	0.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.15; 446.34]	J/mol×K	[510.68; 696.92]
Cp,gas	375.15	J/mol×K	510.68	Joback Calculated Property
Cp,gas	388.91	J/mol×K	541.72	Joback Calculated Property
Cp,gas	401.87	J/mol×K	572.76	Joback Calculated Property
Cp,gas	414.06	J/mol×K	603.80	Joback Calculated Property
Cp,gas	425.51	J/mol×K	634.84	Joback Calculated Property
Cp,gas	436.26	J/mol×K	665.88	Joback Calculated Property
Cp,gas	446.34	J/mol×K	696.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethyl-3-pentanol, chlorodifluoroacetate.

Sources

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

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