Chemical Properties of 3,5,9-Undecatrien-2-one, 6,10-dimethyl- (CAS 141-10-6)

InChI

InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3

InChI Key

JXJIQCXXJGRKRJ-UHFFFAOYSA-N

Formula

C13H20O

SMILES

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

Molecular Weight¹

192.30

CAS

141-10-6

Other Names

• «psi»-Ionone
• Citrylideneacetone
• Pseudoionone
• 6,10-Dimethyl-3,5,9-undecatrien-2-one
• 2,6-Dimethylundeca-2,6,8-triene-10-one
• 2,6-Dimethyl hendeca-2,6,8-trien-10-one
• 6,10-dimethylundeca-3,5,9-trien-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).
• 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	[-7760.50; -7755.90]	kJ/mol
ΔcH°liquid	-7760.50 ± 2.80	kJ/mol	NIST
ΔcH°liquid	-7755.90	kJ/mol	NIST
ΔfG°	153.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-92.15	kJ/mol	Joback Calculated Property
ΔfH°liquid	-213.40 ± 2.80	kJ/mol	NIST
ΔfusH°	29.01	kJ/mol	Joback Calculated Property
ΔvapH°	51.31	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	182.700	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[1507.90; 1593.00]
Inp	1507.90		NIST
Inp	1557.60		NIST
Inp	1527.00		NIST
Inp	1581.00		NIST
Inp	1550.00		NIST
Inp	1556.00		NIST
Inp	1581.00		NIST
Inp	1593.00		NIST
Inp	1507.90		NIST
Inp	1581.00		NIST
I	[1976.00; 2045.00]
I	1976.00		NIST
I	2045.00		NIST
I	2008.00		NIST
I	2008.00		NIST
Tboil	562.95	K	Joback Calculated Property
Tc	759.70	K	Joback Calculated Property
Tfus	243.04	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.05; 513.34]	J/mol×K	[562.95; 759.70]
Cp,gas	430.05	J/mol×K	562.95	Joback Calculated Property
Cp,gas	445.99	J/mol×K	595.74	Joback Calculated Property
Cp,gas	461.03	J/mol×K	628.53	Joback Calculated Property
Cp,gas	475.23	J/mol×K	661.33	Joback Calculated Property
Cp,gas	488.64	J/mol×K	694.12	Joback Calculated Property
Cp,gas	501.32	J/mol×K	726.91	Joback Calculated Property
Cp,gas	513.34	J/mol×K	759.70	Joback Calculated Property
Cp,liquid	382.70	J/mol×K	297.85	NIST
ΔvapH	67.60 ± 1.10	kJ/mol	419.50	NIST

Similar Compounds

Find more compounds similar to 3,5,9-Undecatrien-2-one, 6,10-dimethyl-.

Sources

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

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