Chemical Properties of 2-METHYLDOCOSANE (CAS 1560-81-2)

InChI

InChI=1S/C23H48/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h23H,4-22H2,1-3H3

InChI Key

AISQJRLSHDWVGU-UHFFFAOYSA-N

Formula

C23H48

SMILES

CCCCCCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

324.64

CAS

1560-81-2

Other Names

• Docosane, 2-methyl

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.9352		Relay (1.0) Calculated Property
ΔfG°	140.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.80	kJ/mol	Joback Calculated Property
ΔvapH°	113.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-9.44		Relay (1.0) Calculated Property
logPoct/wat	9.074		Crippen Calculated Property
McVol	334.930	ml/mol	McGowan Calculated Property
Pc	855.96	kPa	Joback Calculated Property
Inp	[2259.00; 2265.10]
Inp	2259.00		NIST
Inp	2264.00		NIST
Inp	2265.00		NIST
Inp	2264.00		NIST
Inp	2265.00		NIST
Inp	2265.10		NIST
Inp	2263.00		NIST
Inp	2264.00		NIST
Inp	2265.00		NIST
Inp	2259.00		NIST
Tboil	597.27	K	Relay (1.0) Calculated Property
Tc	764.95	K	Relay (1.0) Calculated Property
Tfus	304.68	K	Relay (1.0) Calculated Property
Vc	1.342	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.67; 1145.09]	J/mol×K	[725.20; 892.42]
Cp,gas	1024.67	J/mol×K	725.20	Joback Calculated Property
Cp,gas	1047.11	J/mol×K	753.07	Joback Calculated Property
Cp,gas	1068.56	J/mol×K	780.94	Joback Calculated Property
Cp,gas	1089.04	J/mol×K	808.81	Joback Calculated Property
Cp,gas	1108.60	J/mol×K	836.68	Joback Calculated Property
Cp,gas	1127.28	J/mol×K	864.55	Joback Calculated Property
Cp,gas	1145.09	J/mol×K	892.42	Joback Calculated Property
η	[0.0000611; 0.0035428]	Pa×s	[333.97; 725.20]
η	0.0035428	Pa×s	333.97	Joback Calculated Property
η	0.0010359	Pa×s	399.17	Joback Calculated Property
η	0.0004278	Pa×s	464.38	Joback Calculated Property
η	0.0002197	Pa×s	529.59	Joback Calculated Property
η	0.0001306	Pa×s	594.79	Joback Calculated Property
η	0.0000860	Pa×s	659.99	Joback Calculated Property
η	0.0000611	Pa×s	725.20	Joback Calculated Property
ΔvapH	79.70	kJ/mol	573.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[497.40; 685.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45820e+01
Coefficient B			-4.95654e+03
Coefficient C			-1.50650e+02
Temperature range, min.			497.40
Temperature range, max.			685.30
Pvap	1.33	kPa	497.40	Calculated Property
Pvap	3.00	kPa	518.28	Calculated Property
Pvap	6.20	kPa	539.16	Calculated Property
Pvap	11.88	kPa	560.03	Calculated Property
Pvap	21.37	kPa	580.91	Calculated Property
Pvap	36.43	kPa	601.79	Calculated Property
Pvap	59.22	kPa	622.67	Calculated Property
Pvap	92.39	kPa	643.54	Calculated Property
Pvap	139.03	kPa	664.42	Calculated Property
Pvap	202.64	kPa	685.30	Calculated Property

Similar Compounds

Find more compounds similar to 2-METHYLDOCOSANE.

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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