Chemical Properties of 2-Heneicosanone (CAS ---)

InChI

InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h3-20H2,1-2H3

InChI Key

VUVUIDMZOWHIIJ-UHFFFAOYSA-N

Formula

C21H42O

SMILES

CCCCCCCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

310.56

CAS

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• 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).
• 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
ΔfG°	-2.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.35	kJ/mol	Joback Calculated Property
ΔfusH°	51.74	kJ/mol	Joback Calculated Property
ΔvapH°	69.09	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen Calculated Property
logPoct/wat	7.617		Crippen Calculated Property
McVol	308.320	ml/mol	McGowan Calculated Property
Pc	994.51	kPa	Joback Calculated Property
Inp	[376.32; 2309.00]
Inp	2309.00		NIST
Inp	2309.00		NIST
Inp	376.32		NIST
Tboil	733.75	K	Joback Calculated Property
Tc	904.73	K	Joback Calculated Property
Tfus	376.36	K	Joback Calculated Property
Vc	1.218	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[935.81; 1044.00]	J/mol×K	[733.75; 904.73]
Cp,gas	935.81	J/mol×K	733.75	Joback Calculated Property
Cp,gas	956.07	J/mol×K	762.25	Joback Calculated Property
Cp,gas	975.40	J/mol×K	790.74	Joback Calculated Property
Cp,gas	993.82	J/mol×K	819.24	Joback Calculated Property
Cp,gas	1011.38	J/mol×K	847.74	Joback Calculated Property
Cp,gas	1028.09	J/mol×K	876.23	Joback Calculated Property
Cp,gas	1044.00	J/mol×K	904.73	Joback Calculated Property
η	[0.0000844; 0.0022413]	Pa×s	[376.36; 733.75]
η	0.0022413	Pa×s	376.36	Joback Calculated Property
η	0.0008932	Pa×s	435.93	Joback Calculated Property
η	0.0004441	Pa×s	495.49	Joback Calculated Property
η	0.0002565	Pa×s	555.06	Joback Calculated Property
η	0.0001648	Pa×s	614.62	Joback Calculated Property
η	0.0001145	Pa×s	674.18	Joback Calculated Property
η	0.0000844	Pa×s	733.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[488.92; 688.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46438e+01
Coefficient B			-5.31504e+03
Coefficient C			-1.18695e+02
Temperature range, min.			488.92
Temperature range, max.			688.22
Pvap	1.33	kPa	488.92	Calculated Property
Pvap	3.00	kPa	511.06	Calculated Property
Pvap	6.18	kPa	533.21	Calculated Property
Pvap	11.84	kPa	555.35	Calculated Property
Pvap	21.31	kPa	577.50	Calculated Property
Pvap	36.33	kPa	599.64	Calculated Property
Pvap	59.09	kPa	621.79	Calculated Property
Pvap	92.25	kPa	643.93	Calculated Property
Pvap	138.92	kPa	666.08	Calculated Property
Pvap	202.64	kPa	688.22	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heneicosanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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