Chemical Properties of 2-Undecanone, 6,10-dimethyl- (CAS 1604-34-8)

InChI

InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3

InChI Key

RBGLEUBCAJNCTR-UHFFFAOYSA-N

Formula

C13H26O

SMILES

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

Molecular Weight¹

198.34

CAS

1604-34-8

Other Names

• Hexahydropseudoionone
• Pseudoionone, hexahydro-
• Tetrahydrogeranylacetone
• 6,10-Dimethyl-2-undecanone
• 6,10-Dimethylundecan-2-one

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.5988		Relay (1.0) Calculated Property
ΔcH°liquid	-8274.60	kJ/mol	NIST
ΔfH°gas	-474.67	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-556.70 ± 9.00	kJ/mol	NIST
ΔfusH°	23.98	kJ/mol	Joback Calculated Property
ΔvapH°	69.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	4.208		Crippen Calculated Property
McVol	195.600	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[1389.80; 1417.00]
Inp	1389.80		NIST
Inp	1391.00		NIST
Inp	1408.00		NIST
Inp	1400.00		NIST
Inp	1407.00		NIST
Inp	1408.00		NIST
Inp	1407.00		NIST
Inp	1404.00		NIST
Inp	1417.00		NIST
Inp	1410.00		NIST
Inp	1404.00		NIST
Inp	1389.80		NIST
I	[1660.00; 1663.00]
I	1663.00		NIST
I	1660.00		NIST
I	1660.00		NIST
Tboil	523.11	K	Relay (1.0) Calculated Property
Tc	698.21	K	Relay (1.0) Calculated Property
Tfus	249.38	K	Relay (1.0) Calculated Property
Vc	0.715	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	[486.75; 579.78]	J/mol×K	[550.03; 725.36]
Cp,gas	486.75	J/mol×K	550.03	Joback Calculated Property
Cp,gas	504.07	J/mol×K	579.25	Joback Calculated Property
Cp,gas	520.63	J/mol×K	608.47	Joback Calculated Property
Cp,gas	536.46	J/mol×K	637.69	Joback Calculated Property
Cp,gas	551.59	J/mol×K	666.91	Joback Calculated Property
Cp,gas	566.02	J/mol×K	696.13	Joback Calculated Property
Cp,gas	579.78	J/mol×K	725.36	Joback Calculated Property
Cp,liquid	428.40	J/mol×K	313.55	NIST
η	[0.0001873; 0.0089844]	Pa×s	[256.20; 550.03]
η	0.0089844	Pa×s	256.20	Joback Calculated Property
η	0.0028088	Pa×s	305.17	Joback Calculated Property
η	0.0012112	Pa×s	354.14	Joback Calculated Property
η	0.0006407	Pa×s	403.12	Joback Calculated Property
η	0.0003891	Pa×s	452.09	Joback Calculated Property
η	0.0002604	Pa×s	501.06	Joback Calculated Property
η	0.0001873	Pa×s	550.03	Joback Calculated Property
ΔvapH	59.30 ± 0.40	kJ/mol	426.00	NIST

Similar Compounds

Find more compounds similar to 2-Undecanone, 6,10-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.
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