Chemical Properties of 2-DOCOSANONE

InChI

InChI=1S/C22H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h3-21H2,1-2H3

InChI Key

TWBHLKOHVHGYGC-UHFFFAOYSA-N

Formula

C22H44O

SMILES

CCCCCCCCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

324.59

• 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	0.9964		Relay (1.0) Calculated Property
ΔfG°	5.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-634.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.33	kJ/mol	Joback Calculated Property
ΔvapH°	117.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-7.76		Relay (1.0) Calculated Property
logPoct/wat	8.007		Crippen Calculated Property
McVol	322.410	ml/mol	McGowan Calculated Property
Pc	936.92	kPa	Joback Calculated Property
Inp	[389.37; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Inp	389.37		NIST
Inp	389.37		NIST
Tboil	607.98	K	Relay (1.0) Calculated Property
Tc	800.05	K	Relay (1.0) Calculated Property
Tfus	335.29	K	Relay (1.0) Calculated Property
Vc	1.273	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.11; 1143.35]	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			-9.75100e+00
Coefficient B			2.06584e+00
Coefficient C			-1.15430e-03
Coefficient D			2.41560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	473.11	J/mol×K	273.00	Calculated Property
Cp,gas	587.32	J/mol×K	353.78	Calculated Property
Cp,gas	689.82	J/mol×K	434.56	Calculated Property
Cp,gas	781.36	J/mol×K	515.33	Calculated Property
Cp,gas	862.71	J/mol×K	596.11	Calculated Property
Cp,gas	934.63	J/mol×K	676.89	Calculated Property
Cp,gas	997.90	J/mol×K	757.67	Calculated Property
Cp,gas	1053.26	J/mol×K	838.44	Calculated Property
Cp,gas	1101.49	J/mol×K	919.22	Calculated Property
Cp,gas	1143.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020125; 0.0001294]	Pa×s	[387.63; 651.21]	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			-1.29884e+01
Coefficient B			2.62815e+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.			387.63
Temperature range, max.			651.21
η	0.0020125	Pa×s	387.63	Calculated Property
η	0.0012500	Pa×s	416.92	Calculated Property
η	0.0008264	Pa×s	446.20	Calculated Property
η	0.0005750	Pa×s	475.49	Calculated Property
η	0.0004172	Pa×s	504.78	Calculated Property
η	0.0003136	Pa×s	534.06	Calculated Property
η	0.0002428	Pa×s	563.35	Calculated Property
η	0.0001928	Pa×s	592.64	Calculated Property
η	0.0001565	Pa×s	621.92	Calculated Property
η	0.0001294	Pa×s	651.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[500.92; 700.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48436e+01
Coefficient B			-5.50298e+03
Coefficient C			-1.22865e+02
Temperature range, min.			500.92
Temperature range, max.			700.17
Pvap	1.33	kPa	500.92	Calculated Property
Pvap	2.98	kPa	523.06	Calculated Property
Pvap	6.13	kPa	545.20	Calculated Property
Pvap	11.74	kPa	567.34	Calculated Property
Pvap	21.12	kPa	589.48	Calculated Property
Pvap	36.03	kPa	611.61	Calculated Property
Pvap	58.69	kPa	633.75	Calculated Property
Pvap	91.80	kPa	655.89	Calculated Property
Pvap	138.56	kPa	678.03	Calculated Property
Pvap	202.64	kPa	700.17	Calculated Property

Similar Compounds

Find more compounds similar to 2-DOCOSANONE.

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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