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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.4129		Relay (1.0) Calculated Property
ΔfH°gas	-296.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.93	kJ/mol	Joback Calculated Property
ΔvapH°	51.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-2.92		Relay (1.0) 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	1055.00		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	438.08	K	Relay (1.0) Calculated Property
Tc	628.93	K	Relay (1.0) Calculated Property
Tfus	252.13	K	Relay (1.0) Calculated Property
Vc	0.526	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.78; 403.03]	J/mol×K	[478.07; 661.86]
Cp,gas	324.78	J/mol×K	478.07	Joback Calculated Property
Cp,gas	339.42	J/mol×K	508.70	Joback Calculated Property
Cp,gas	353.39	J/mol×K	539.33	Joback Calculated Property
Cp,gas	366.72	J/mol×K	569.97	Joback Calculated Property
Cp,gas	379.43	J/mol×K	600.60	Joback Calculated Property
Cp,gas	391.52	J/mol×K	631.23	Joback Calculated Property
Cp,gas	403.03	J/mol×K	661.86	Joback Calculated Property
η	[0.0002437; 0.0096846]	Pa×s	[220.63; 478.07]
η	0.0096846	Pa×s	220.63	Joback Calculated Property
η	0.0031810	Pa×s	263.54	Joback Calculated Property
η	0.0014271	Pa×s	306.44	Joback Calculated Property
η	0.0007796	Pa×s	349.35	Joback Calculated Property
η	0.0004861	Pa×s	392.26	Joback Calculated Property
η	0.0003327	Pa×s	435.16	Joback Calculated Property
η	0.0002437	Pa×s	478.07	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.