Chemical Properties of 2,2,5-Trimethyloxepan-4-one

InChI

InChI=1S/C9H16O2/c1-7-4-5-11-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3

InChI Key

BNRJXRQVEQZRPI-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CC1CCOC(C)(C)CC1=O

Molecular Weight¹

156.22

• 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.
• I : 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°	-184.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-455.73	kJ/mol	Joback Calculated Property
ΔfusH°	11.06	kJ/mol	Joback Calculated Property
ΔvapH°	43.53	kJ/mol	Joback Calculated Property
log10WS	-1.72		Crippen Calculated Property
logPoct/wat	1.781		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[1164.00; 1164.00]
Inp	1164.00		NIST
Inp	1164.00		NIST
I	1604.00		NIST
Tboil	519.48	K	Joback Calculated Property
Tc	752.48	K	Joback Calculated Property
Tfus	309.50	K	Joback Calculated Property
Vc	0.489	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.31; 423.22]	J/mol×K	[519.48; 752.48]
Cp,gas	324.31	J/mol×K	519.48	Joback Calculated Property
Cp,gas	343.13	J/mol×K	558.31	Joback Calculated Property
Cp,gas	360.92	J/mol×K	597.15	Joback Calculated Property
Cp,gas	377.74	J/mol×K	635.98	Joback Calculated Property
Cp,gas	393.68	J/mol×K	674.82	Joback Calculated Property
Cp,gas	408.81	J/mol×K	713.65	Joback Calculated Property
Cp,gas	423.22	J/mol×K	752.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,5-Trimethyloxepan-4-one.

Sources

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

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