Chemical Properties of 2-Eicosanone (CAS 29703-52-4)

InChI

InChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h3-19H2,1-2H3

InChI Key

GARHHHWGJIXLDK-UHFFFAOYSA-N

Formula

C20H40O

SMILES

CCCCCCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

296.53

CAS

29703-52-4

• 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).
• 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
ω	0.9263		Relay (1.0) Calculated Property
ΔfG°	-11.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-592.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.16	kJ/mol	Joback Calculated Property
ΔvapH°	107.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
log10WS	-7.20		Relay (1.0) Calculated Property
logPoct/wat	7.227		Crippen Calculated Property
McVol	294.230	ml/mol	McGowan Calculated Property
Pc	1057.57	kPa	Joback Calculated Property
Inp	[362.51; 2206.00]
Inp	2206.00		NIST
Inp	362.51		NIST
Inp	2206.00		NIST
Tboil	595.31	K	Relay (1.0) Calculated Property
Tc	785.80	K	Relay (1.0) Calculated Property
Tfus	330.51	K	Relay (1.0) Calculated Property
Vc	1.161	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.68; 1040.17]	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			-7.93300e+00
Coefficient B			1.87584e+00
Coefficient C			-1.04550e-03
Coefficient D			2.17760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	430.68	J/mol×K	273.00	Calculated Property
Cp,gas	534.49	J/mol×K	353.78	Calculated Property
Cp,gas	627.66	J/mol×K	434.56	Calculated Property
Cp,gas	710.90	J/mol×K	515.33	Calculated Property
Cp,gas	784.89	J/mol×K	596.11	Calculated Property
Cp,gas	850.31	J/mol×K	676.89	Calculated Property
Cp,gas	907.86	J/mol×K	757.67	Calculated Property
Cp,gas	958.23	J/mol×K	838.44	Calculated Property
Cp,gas	1002.10	J/mol×K	919.22	Calculated Property
Cp,gas	1040.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024837; 0.0001631]	Pa×s	[365.09; 616.19]	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			-1.26808e+01
Coefficient B			2.43983e+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.			365.09
Temperature range, max.			616.19
η	0.0024837	Pa×s	365.09	Calculated Property
η	0.0015454	Pa×s	392.99	Calculated Property
η	0.0010240	Pa×s	420.89	Calculated Property
η	0.0007142	Pa×s	448.79	Calculated Property
η	0.0005195	Pa×s	476.69	Calculated Property
η	0.0003915	Pa×s	504.59	Calculated Property
η	0.0003039	Pa×s	532.49	Calculated Property
η	0.0002419	Pa×s	560.39	Calculated Property
η	0.0001968	Pa×s	588.29	Calculated Property
η	0.0001631	Pa×s	616.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[480.44; 674.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47541e+01
Coefficient B			-5.27580e+03
Coefficient C			-1.15748e+02
Temperature range, min.			480.44
Temperature range, max.			674.47
Pvap	1.33	kPa	480.44	Calculated Property
Pvap	2.99	kPa	502.00	Calculated Property
Pvap	6.15	kPa	523.56	Calculated Property
Pvap	11.78	kPa	545.12	Calculated Property
Pvap	21.20	kPa	566.68	Calculated Property
Pvap	36.16	kPa	588.23	Calculated Property
Pvap	58.87	kPa	609.79	Calculated Property
Pvap	92.00	kPa	631.35	Calculated Property
Pvap	138.72	kPa	652.91	Calculated Property
Pvap	202.64	kPa	674.47	Calculated Property

Similar Compounds

Find more compounds similar to 2-Eicosanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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