Chemical Properties of 5-Dodecanone (CAS 19780-10-0)

InChI

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

InChI Key

DOXYUCZSYSEALW-UHFFFAOYSA-N

Formula

C12H24O

SMILES

CCCCCCCC(=O)CCCC

Molecular Weight¹

184.32

CAS

19780-10-0

Other Names

• Butyl heptyl ketone
• dodecan-5-one
• n-Butyl n-heptyl ketone

• ω : Acentric Factor.
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• 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
ω	0.6260		Relay (1.0) Calculated Property
ΔfG°	-78.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.43	kJ/mol	Joback Calculated Property
ΔvapH°	64.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-4.28		Relay (1.0) 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	243.30 ± 7.37	kg/m3	NIST
Tboil	507.85	K	Relay (1.0) Calculated Property
Tc	[695.00; 695.20]	K
Tc	695.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	695.20 ± 3.00	K	NIST
Tfus	282.85 ± 2.00	K	NIST
Vc	0.759	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.97; 627.44]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.61000e-01
Coefficient B			1.11584e+00
Coefficient C			-6.10300e-04
Coefficient D			1.22560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.97	J/mol×K	273.00	Calculated Property
Cp,gas	323.14	J/mol×K	353.78	Calculated Property
Cp,gas	379.04	J/mol×K	434.56	Calculated Property
Cp,gas	429.07	J/mol×K	515.33	Calculated Property
Cp,gas	473.60	J/mol×K	596.11	Calculated Property
Cp,gas	513.02	J/mol×K	676.89	Calculated Property
Cp,gas	547.73	J/mol×K	757.67	Calculated Property
Cp,gas	578.11	J/mol×K	838.44	Calculated Property
Cp,gas	604.55	J/mol×K	919.22	Calculated Property
Cp,gas	627.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036919; 0.0003041]	Pa×s	[282.85; 486.57]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15643e+01
Coefficient B			1.68655e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			282.85
Temperature range, max.			486.57
η	0.0036919	Pa×s	282.85	Calculated Property
η	0.0023734	Pa×s	305.49	Calculated Property
η	0.0016217	Pa×s	328.12	Calculated Property
η	0.0011639	Pa×s	350.76	Calculated Property
η	0.0008696	Pa×s	373.39	Calculated Property
η	0.0006717	Pa×s	396.03	Calculated Property
η	0.0005336	Pa×s	418.66	Calculated Property
η	0.0004340	Pa×s	441.30	Calculated Property
η	0.0003601	Pa×s	463.93	Calculated Property
η	0.0003041	Pa×s	486.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[391.64; 546.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52621e+01
Coefficient B			-4.59344e+03
Coefficient C			-8.48900e+01
Temperature range, min.			391.64
Temperature range, max.			546.51
Pvap	1.33	kPa	391.64	Calculated Property
Pvap	2.95	kPa	408.85	Calculated Property
Pvap	6.04	kPa	426.06	Calculated Property
Pvap	11.53	kPa	443.26	Calculated Property
Pvap	20.74	kPa	460.47	Calculated Property
Pvap	35.43	kPa	477.68	Calculated Property
Pvap	57.89	kPa	494.89	Calculated Property
Pvap	90.90	kPa	512.09	Calculated Property
Pvap	137.85	kPa	529.30	Calculated Property
Pvap	202.64	kPa	546.51	Calculated Property

Similar Compounds

Find more compounds similar to 5-Dodecanone.

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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