Chemical Properties of 4-Hepten-3-one, 2,6-dimethyl- (CAS 56259-14-4)

InChI

InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5-8H,1-4H3/b6-5+

InChI Key

FXHCGFPVKLZHCE-AATRIKPKSA-N

Formula

C9H16O

SMILES

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

Molecular Weight¹

140.22

CAS

56259-14-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 : 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°	-28.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-235.01	kJ/mol	Joback Calculated Property
ΔfusH°	13.82	kJ/mol	Joback Calculated Property
ΔvapH°	41.56	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2627.15	kPa	Joback Calculated Property
I	[1754.00; 1754.00]
I	1754.00		NIST
I	1754.00		NIST
Tboil	462.00 ± 4.00	K	NIST
Tc	652.99	K	Joback Calculated Property
Tfus	206.04	K	Joback Calculated Property
Vc	0.513	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.75; 355.84]	J/mol×K	[462.47; 652.99]
Cp,gas	281.75	J/mol×K	462.47	Joback Calculated Property
Cp,gas	295.72	J/mol×K	494.22	Joback Calculated Property
Cp,gas	309.02	J/mol×K	525.98	Joback Calculated Property
Cp,gas	321.65	J/mol×K	557.73	Joback Calculated Property
Cp,gas	333.65	J/mol×K	589.48	Joback Calculated Property
Cp,gas	345.04	J/mol×K	621.24	Joback Calculated Property
Cp,gas	355.84	J/mol×K	652.99	Joback Calculated Property
η	[0.0002146; 0.0107980]	Pa×s	[206.04; 462.47]
η	0.0107980	Pa×s	206.04	Joback Calculated Property
η	0.0032072	Pa×s	248.78	Joback Calculated Property
η	0.0013599	Pa×s	291.52	Joback Calculated Property
η	0.0007181	Pa×s	334.25	Joback Calculated Property
η	0.0004382	Pa×s	376.99	Joback Calculated Property
η	0.0002958	Pa×s	419.73	Joback Calculated Property
η	0.0002146	Pa×s	462.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hepten-3-one, 2,6-dimethyl-.

Sources

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

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