Chemical Properties of 2-Docosanone (CAS 77327-11-8)

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

324.58

CAS

77327-11-8

• 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°	115.88	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	389.37		NIST
Inp	2410.00		NIST
Inp	389.37		NIST
Tboil	607.98	K	Relay (1.0) Calculated Property
Tc	797.42	K	Relay (1.0) Calculated Property
Tfus	340.90	K	Relay (1.0) Calculated Property
Vc	1.271	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.14; 1107.46]	J/mol×K	[756.63; 930.05]
Cp,gas	997.14	J/mol×K	756.63	Joback Calculated Property
Cp,gas	1017.85	J/mol×K	785.53	Joback Calculated Property
Cp,gas	1037.59	J/mol×K	814.44	Joback Calculated Property
Cp,gas	1056.38	J/mol×K	843.34	Joback Calculated Property
Cp,gas	1074.27	J/mol×K	872.25	Joback Calculated Property
Cp,gas	1091.28	J/mol×K	901.15	Joback Calculated Property
Cp,gas	1107.46	J/mol×K	930.05	Joback Calculated Property
η	[0.0000737; 0.0020125]	Pa×s	[387.63; 756.63]
η	0.0020125	Pa×s	387.63	Joback Calculated Property
η	0.0007953	Pa×s	449.13	Joback Calculated Property
η	0.0003931	Pa×s	510.63	Joback Calculated Property
η	0.0002260	Pa×s	572.13	Joback Calculated Property
η	0.0001447	Pa×s	633.63	Joback Calculated Property
η	0.0001003	Pa×s	695.13	Joback Calculated Property
η	0.0000737	Pa×s	756.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[500.92; 700.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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