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

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔcH°liquid	-8274.60	kJ/mol	NIST
ΔfG°	-75.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.79	kJ/mol	Joback Calculated Property
ΔfH°liquid	-556.70 ± 9.00	kJ/mol	NIST
ΔfusH°	23.98	kJ/mol	Joback Calculated Property
ΔvapH°	50.50	kJ/mol	Joback Calculated Property
log10WS	-4.06		Crippen 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	549.83	K	Joback Calculated Property
Tc	725.09	K	Joback Calculated Property
Tfus	256.20	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.63; 579.66]	J/mol×K	[549.83; 725.09]
Cp,gas	486.63	J/mol×K	549.83	Joback Calculated Property
Cp,gas	503.95	J/mol×K	579.04	Joback Calculated Property
Cp,gas	520.51	J/mol×K	608.25	Joback Calculated Property
Cp,gas	536.34	J/mol×K	637.46	Joback Calculated Property
Cp,gas	551.47	J/mol×K	666.67	Joback Calculated Property
Cp,gas	565.90	J/mol×K	695.88	Joback Calculated Property
Cp,gas	579.66	J/mol×K	725.09	Joback Calculated Property
Cp,liquid	428.40	J/mol×K	313.55	NIST
η	[0.0001875; 0.0089844]	Pa×s	[256.20; 549.83]
η	0.0089844	Pa×s	256.20	Joback Calculated Property
η	0.0028107	Pa×s	305.14	Joback Calculated Property
η	0.0012124	Pa×s	354.08	Joback Calculated Property
η	0.0006414	Pa×s	403.02	Joback Calculated Property
η	0.0003895	Pa×s	451.95	Joback Calculated Property
η	0.0002608	Pa×s	500.89	Joback Calculated Property
η	0.0001875	Pa×s	549.83	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

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

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