Chemical Properties of 6-Methyl-3,5-heptadiene-2-one (CAS 1604-28-0)

InChI

InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3

InChI Key

KSKXSFZGARKWOW-UHFFFAOYSA-N

Formula

C8H12O

SMILES

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

Molecular Weight¹

124.18

CAS

1604-28-0

Other Names

• 6-Methyl-3,5-heptadien-2-one
• 6-Methyl-3,5-heptadienone-2
• 3,5-Heptadien-2-one, 6-methyl-
• 2-methyl-2,4-heptadien-6-one
• 6-Methylhepta-3,5-dien-2-one
• 6-Methyl-hepta-3,5-diene-2-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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_boilr : Boiling point at reduced pressure (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	0.3483		Relay (1.0) Calculated Property
ΔfG°	39.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.17	kJ/mol	Joback Calculated Property
ΔvapH°	55.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-1.67		Relay (1.0) Calculated Property
logPoct/wat	2.098		Crippen Calculated Property
McVol	116.550	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[1064.00; 1111.00]
Inp	1110.00		NIST
Inp	1088.00		NIST
Inp	1074.90		NIST
Inp	1074.90		NIST
Inp	1106.90		NIST
Inp	1106.50		NIST
Inp	1106.30		NIST
Inp	1107.30		NIST
Inp	1107.00		NIST
Inp	1100.00		NIST
Inp	1105.00		NIST
Inp	1084.00		NIST
Inp	1085.00		NIST
Inp	1074.00		NIST
Inp	1076.00		NIST
Inp	1073.00		NIST
Inp	1086.00		NIST
Inp	1083.00		NIST
Inp	1064.00		NIST
Inp	1102.00		NIST
Inp	1108.00		NIST
Inp	1107.00		NIST
Inp	1111.00		NIST
Inp	1076.00		NIST
Inp	1076.00		NIST
Inp	1107.00		NIST
Inp	1074.00		NIST
Inp	1074.90		NIST
Inp	1064.00		NIST
Inp	1076.00		NIST
I	[1582.00; 1604.00]
I	Outlier 1582.00		NIST
I	1596.00		NIST
I	1604.00		NIST
I	1590.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1604.00		NIST
I	1604.00		NIST
I	1602.00		NIST
I	Outlier 1582.00		NIST
Tboil	457.71	K	Relay (1.0) Calculated Property
Tc	633.62	K	Relay (1.0) Calculated Property
Tfus	316.61	K	Relay (1.0) Calculated Property
Vc	0.419	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.66; 286.31]	J/mol×K	[444.51; 641.39]
Cp,gas	223.66	J/mol×K	444.51	Joback Calculated Property
Cp,gas	235.68	J/mol×K	477.32	Joback Calculated Property
Cp,gas	247.03	J/mol×K	510.14	Joback Calculated Property
Cp,gas	257.73	J/mol×K	542.95	Joback Calculated Property
Cp,gas	267.82	J/mol×K	575.76	Joback Calculated Property
Cp,gas	277.33	J/mol×K	608.58	Joback Calculated Property
Cp,gas	286.31	J/mol×K	641.39	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 6-Methyl-3,5-heptadiene-2-one.

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.