Chemical Properties of 4-Hepten-3-one, 5-ethyl-4-methyl- (CAS 22319-28-4)

InChI

InChI=1S/C10H18O/c1-5-9(6-2)8(4)10(11)7-3/h5-7H2,1-4H3

InChI Key

IDPSLUYWEQFHAM-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CCC(=O)C(C)=C(CC)CC

Molecular Weight¹

154.25

CAS

22319-28-4

Other Names

• 5-ethyl-4-methyl-4-hepten-3-one

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• P_vap : Vapor pressure (kPa).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.85; 493.13]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.24070e+01
Coefficient B			9.45680e-01
Coefficient C			-5.89900e-04
Coefficient D			1.49760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.85	J/mol×K	273.00	Calculated Property
Cp,gas	254.95	J/mol×K	353.78	Calculated Property
Cp,gas	299.44	J/mol×K	434.56	Calculated Property
Cp,gas	338.77	J/mol×K	515.33	Calculated Property
Cp,gas	373.43	J/mol×K	596.11	Calculated Property
Cp,gas	403.88	J/mol×K	676.89	Calculated Property
Cp,gas	430.60	J/mol×K	757.67	Calculated Property
Cp,gas	454.07	J/mol×K	838.44	Calculated Property
Cp,gas	474.76	J/mol×K	919.22	Calculated Property
Cp,gas	493.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[359.78; 544.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.30692e+01
Coefficient B			-3.64175e+03
Coefficient C			-7.48620e+01
Temperature range, min.			359.78
Temperature range, max.			544.30
Pvap	1.33	kPa	359.78	Calculated Property
Pvap	3.14	kPa	380.28	Calculated Property
Pvap	6.66	kPa	400.78	Calculated Property
Pvap	12.89	kPa	421.29	Calculated Property
Pvap	23.20	kPa	441.79	Calculated Property
Pvap	39.23	kPa	462.29	Calculated Property
Pvap	62.92	kPa	482.79	Calculated Property
Pvap	96.45	kPa	503.30	Calculated Property
Pvap	142.20	kPa	523.80	Calculated Property
Pvap	202.66	kPa	544.30	Calculated Property

Similar Compounds

Find more compounds similar to 4-Hepten-3-one, 5-ethyl-4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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