Chemical Properties of 2-Dodecanone (CAS 6175-49-1)

InChI

InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3

InChI Key

LSKONYYRONEBKA-UHFFFAOYSA-N

Formula

C12H24O

SMILES

CCCCCCCCCCC(C)=O

Molecular Weight¹

184.32

CAS

6175-49-1

Other Names

• Decyl methyl ketone
• Dodecan-2-one
• Dodecanone-(2)
• Methyl decyl ketone

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• 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	-7676.00 ± 1.70	kJ/mol	NIST
ΔfG°	-78.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-404.30 ± 2.50	kJ/mol	NIST
ΔfH°liquid	-476.10 ± 2.40	kJ/mol	NIST
ΔfusH°	39.48	kJ/mol	Measure...
ΔvapH°	[71.80; 71.83]	kJ/mol
ΔvapH°	71.83	kJ/mol	NIST
ΔvapH°	71.83 ± 0.64	kJ/mol	NIST
ΔvapH°	71.80 ± 0.60	kJ/mol	NIST
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	4.106		Crippen Calculated Property
McVol	181.510	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
ρc	245.14 ± 7.37	kg/m3	NIST
Inp	[1345.00; 1410.00]
Inp	1394.30		NIST
Inp	1383.80		NIST
Inp	1382.10		NIST
Inp	1366.50		NIST
Inp	1392.90		NIST
Inp	1371.00		NIST
Inp	1375.00		NIST
Inp	Outlier 1348.00		NIST
Inp	1375.00		NIST
Inp	1373.00		NIST
Inp	1378.00		NIST
Inp	1356.00		NIST
Inp	1361.00		NIST
Inp	1384.00		NIST
Inp	1377.00		NIST
Inp	1370.00		NIST
Inp	1379.00		NIST
Inp	1391.00		NIST
Inp	1380.00		NIST
Inp	1401.00		NIST
Inp	Outlier 1345.00		NIST
Inp	1388.00		NIST
Inp	1389.00		NIST
Inp	1375.00		NIST
Inp	1402.00		NIST
Inp	1396.00		NIST
Inp	1373.00		NIST
Inp	1389.00		NIST
Inp	1377.00		NIST
Inp	1367.00		NIST
Inp	1395.00		NIST
Inp	1404.00		NIST
Inp	1397.00		NIST
Inp	1404.00		NIST
Inp	1410.00		NIST
Inp	1410.00		NIST
Inp	1377.00		NIST
Inp	1370.00		NIST
Inp	1375.00		NIST
Inp	1377.00		NIST
Inp	1379.00		NIST
Inp	1388.00		NIST
Inp	1373.00		NIST
Inp	1371.00		NIST
Inp	1395.00		NIST
Inp	1410.00		NIST
I	[1674.00; 1711.00]
I	1697.00		NIST
I	1704.00		NIST
I	1692.00		NIST
I	1704.00		NIST
I	1710.00		NIST
I	1711.00		NIST
I	1692.00		NIST
I	1708.00		NIST
I	1709.00		NIST
I	Outlier 1674.00		NIST
I	1688.00		NIST
I	1698.00		NIST
I	1688.00		NIST
I	1698.00		NIST
I	1692.00		NIST
I	1698.00		NIST
I	1697.00		NIST
Tboil	[518.15; 519.65]	K
Tboil	519.65 ± 2.00	K	NIST
Tboil	518.15 ± 2.00	K	NIST
Tboil	519.65 ± 2.00	K	NIST
Tc	702.10 ± 2.70	K	NIST
Tfus	274.93	K	Joback Calculated Property
Vc	0.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.30; 522.54]	J/mol×K	[527.83; 698.01]
Cp,gas	436.30	J/mol×K	527.83	Joback Calculated Property
Cp,gas	452.25	J/mol×K	556.19	Joback Calculated Property
Cp,gas	467.55	J/mol×K	584.56	Joback Calculated Property
Cp,gas	482.21	J/mol×K	612.92	Joback Calculated Property
Cp,gas	496.25	J/mol×K	641.28	Joback Calculated Property
Cp,gas	509.69	J/mol×K	669.65	Joback Calculated Property
Cp,gas	522.54	J/mol×K	698.01	Joback Calculated Property
η	[0.0002319; 0.0043838]	Pa×s	[274.93; 527.83]
η	0.0043838	Pa×s	274.93	Joback Calculated Property
η	0.0019395	Pa×s	317.08	Joback Calculated Property
η	0.0010391	Pa×s	359.23	Joback Calculated Property
η	0.0006347	Pa×s	401.38	Joback Calculated Property
η	0.0004257	Pa×s	443.53	Joback Calculated Property
η	0.0003061	Pa×s	485.68	Joback Calculated Property
η	0.0002319	Pa×s	527.83	Joback Calculated Property
ΔvapH	[48.10; 61.10]	kJ/mol	[435.00; 497.50]
ΔvapH	61.10	kJ/mol	435.00	NIST
ΔvapH	60.80	kJ/mol	497.50	NIST
ΔvapH	48.10	kJ/mol	497.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[393.38; 550.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51720e+01
Coefficient B			-4.58012e+03
Coefficient C			-8.56680e+01
Temperature range, min.			393.38
Temperature range, max.			550.16
Pvap	1.33	kPa	393.38	Calculated Property
Pvap	2.96	kPa	410.80	Calculated Property
Pvap	6.06	kPa	428.22	Calculated Property
Pvap	11.57	kPa	445.64	Calculated Property
Pvap	20.82	kPa	463.06	Calculated Property
Pvap	35.56	kPa	480.48	Calculated Property
Pvap	58.06	kPa	497.90	Calculated Property
Pvap	91.10	kPa	515.32	Calculated Property
Pvap	138.01	kPa	532.74	Calculated Property
Pvap	202.66	kPa	550.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Dodecanone.

Mixtures

• 2-Dodecanone + 1-Octanol
• 2-Dodecanone + 1-Decanol
• 2-Dodecanone + 1-Dodecanol

Sources

• Crippen Method
• Crippen Method
• Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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