Chemical Properties of 3,5-Heptadien-2-one (CAS 3916-64-1)

InChI

InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3/b4-3+,6-5+

InChI Key

SWGLACWOVFCDQS-VNKDHWASSA-N

Formula

C7H10O

SMILES

CC=CC=CC(C)=O

Molecular Weight¹

110.15

CAS

3916-64-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.90; 308.32]	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			-2.44800e+01
Coefficient B			6.80840e-01
Coefficient C			-5.05900e-04
Coefficient D			1.57860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.90	J/mol×K	273.00	Calculated Property
Cp,gas	160.06	J/mol×K	353.78	Calculated Property
Cp,gas	188.80	J/mol×K	434.56	Calculated Property
Cp,gas	213.63	J/mol×K	515.33	Calculated Property
Cp,gas	235.04	J/mol×K	596.11	Calculated Property
Cp,gas	253.54	J/mol×K	676.89	Calculated Property
Cp,gas	269.61	J/mol×K	757.67	Calculated Property
Cp,gas	283.77	J/mol×K	838.44	Calculated Property
Cp,gas	296.51	J/mol×K	919.22	Calculated Property
Cp,gas	308.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035142; 0.0001932]	Pa×s	[208.42; 431.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12561e+01
Coefficient B			1.16823e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			208.42
Temperature range, max.			431.95
η	0.0035142	Pa×s	208.42	Calculated Property
η	0.0019348	Pa×s	233.26	Calculated Property
η	0.0011949	Pa×s	258.09	Calculated Property
η	0.0008031	Pa×s	282.93	Calculated Property
η	0.0005755	Pa×s	307.77	Calculated Property
η	0.0004335	Pa×s	332.60	Calculated Property
η	0.0003396	Pa×s	357.44	Calculated Property
η	0.0002746	Pa×s	382.27	Calculated Property
η	0.0002279	Pa×s	407.11	Calculated Property
η	0.0001932	Pa×s	431.95	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Heptadien-2-one.

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

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