Chemical Properties of 7-Octen-4-one, 2,6-dimethyl- (CAS 1879-00-1)

InChI

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

InChI Key

VUSBHGLIAQXBSW-UHFFFAOYSA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

CAS

1879-00-1

Other Names

• 2,6-Dimethyloct-7-en-4-one
• Dihydrotagetone

• 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_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°	-12.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.44	kJ/mol	Joback Calculated Property
ΔfusH°	14.93	kJ/mol	Joback Calculated Property
ΔvapH°	43.15	kJ/mol	Joback Calculated Property
log10WS	-2.66		Crippen Calculated Property
logPoct/wat	2.814		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Pc	2363.37	kPa	Joback Calculated Property
Inp	[1013.00; 1082.00]
Inp	1053.00		NIST
Inp	1050.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1059.00		NIST
Inp	1047.00		NIST
Inp	1053.00		NIST
Inp	1053.00		NIST
Inp	1045.00		NIST
Inp	1047.00		NIST
Inp	1033.00		NIST
Inp	Outlier 1013.00		NIST
Inp	1055.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1060.00		NIST
Inp	1055.00		NIST
Inp	Outlier 1082.00		NIST
I	[1268.00; 1319.00]
I	1319.00		NIST
I	1268.00		NIST
I	1319.00		NIST
Tboil	477.87	K	Joback Calculated Property
Tc	661.58	K	Joback Calculated Property
Tfus	220.63	K	Joback Calculated Property
Vc	0.571	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.68; 402.93]	J/mol×K	[477.87; 661.58]
Cp,gas	324.68	J/mol×K	477.87	Joback Calculated Property
Cp,gas	339.32	J/mol×K	508.49	Joback Calculated Property
Cp,gas	353.29	J/mol×K	539.11	Joback Calculated Property
Cp,gas	366.62	J/mol×K	569.73	Joback Calculated Property
Cp,gas	379.32	J/mol×K	600.35	Joback Calculated Property
Cp,gas	391.42	J/mol×K	630.97	Joback Calculated Property
Cp,gas	402.93	J/mol×K	661.58	Joback Calculated Property
η	[0.0002440; 0.0096846]	Pa×s	[220.63; 477.87]
η	0.0096846	Pa×s	220.63	Joback Calculated Property
η	0.0031833	Pa×s	263.50	Joback Calculated Property
η	0.0014286	Pa×s	306.38	Joback Calculated Property
η	0.0007805	Pa×s	349.25	Joback Calculated Property
η	0.0004867	Pa×s	392.12	Joback Calculated Property
η	0.0003331	Pa×s	435.00	Joback Calculated Property
η	0.0002440	Pa×s	477.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Octen-4-one, 2,6-dimethyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.