Chemical Properties of 3-Heptanone, 2,6-dimethyl- (CAS 19549-83-8)

InChI

InChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

HFNWDYQEGABWQS-UHFFFAOYSA-N

Formula

C9H18O

SMILES

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

Molecular Weight¹

142.24

CAS

19549-83-8

Other Names

• 2,6-Dimethyl-3-heptanone
• 2,6-dimethylheptan-3-one

• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ΔfG°	-108.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-352.23	kJ/mol	Joback Calculated Property
ΔfusH°	13.62	kJ/mol	Joback Calculated Property
ΔvapH°	41.60	kJ/mol	Joback Calculated Property
log10WS	-2.39		Crippen Calculated Property
logPoct/wat	2.648		Crippen Calculated Property
McVol	139.240	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[985.00; 985.00]
Inp	985.00		NIST
Inp	985.00		NIST
Tboil	445.00 ± 4.00	K	NIST
Tc	640.10	K	Joback Calculated Property
Tfus	211.12	K	Joback Calculated Property
Vc	0.533	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.92; 374.81]	J/mol×K	[458.31; 640.10]
Cp,gas	297.92	J/mol×K	458.31	Joback Calculated Property
Cp,gas	312.19	J/mol×K	488.61	Joback Calculated Property
Cp,gas	325.86	J/mol×K	518.91	Joback Calculated Property
Cp,gas	338.94	J/mol×K	549.20	Joback Calculated Property
Cp,gas	351.45	J/mol×K	579.50	Joback Calculated Property
Cp,gas	363.40	J/mol×K	609.80	Joback Calculated Property
Cp,gas	374.81	J/mol×K	640.10	Joback Calculated Property
η	[0.0002572; 0.0112700]	Pa×s	[211.12; 458.31]
η	0.0112700	Pa×s	211.12	Joback Calculated Property
η	0.0035885	Pa×s	252.32	Joback Calculated Property
η	0.0015755	Pa×s	293.52	Joback Calculated Property
η	0.0008471	Pa×s	334.72	Joback Calculated Property
η	0.0005218	Pa×s	375.91	Joback Calculated Property
η	0.0003537	Pa×s	417.11	Joback Calculated Property
η	0.0002572	Pa×s	458.31	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[333.50; 472.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50525e+01
Coefficient B			-3.96644e+03
Coefficient C			-6.48600e+01
Temperature range, min.			333.50
Temperature range, max.			472.05
Pvap	1.33	kPa	333.50	Calculated Property
Pvap	2.97	kPa	348.89	Calculated Property
Pvap	6.08	kPa	364.29	Calculated Property
Pvap	11.63	kPa	379.68	Calculated Property
Pvap	20.92	kPa	395.08	Calculated Property
Pvap	35.73	kPa	410.47	Calculated Property
Pvap	58.28	kPa	425.87	Calculated Property
Pvap	91.35	kPa	441.26	Calculated Property
Pvap	138.21	kPa	456.66	Calculated Property
Pvap	202.65	kPa	472.05	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptanone, 2,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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