Chemical Properties of 2-methylhexacosane (CAS 1561-02-0)

InChI

InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3

InChI Key

BEBPORIYFVRVCP-UHFFFAOYSA-N

Formula

C27H56

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

380.74

CAS

1561-02-0

• 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	1.0759		Relay (1.0) Calculated Property
ΔfG°	174.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-619.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.16	kJ/mol	Joback Calculated Property
ΔvapH°	135.74	kJ/mol	Relay (1.0) Calculated Property
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-10.53		Relay (1.0) Calculated Property
logPoct/wat	10.635		Crippen Calculated Property
McVol	391.290	ml/mol	McGowan Calculated Property
Pc	691.79	kPa	Joback Calculated Property
Inp	[2656.00; 2665.30]
Inp	2664.00		NIST
Inp	2660.00		NIST
Inp	2663.00		NIST
Inp	2663.00		NIST
Inp	Outlier 2656.00		NIST
Inp	2662.70		NIST
Inp	2663.00		NIST
Inp	2664.00		NIST
Inp	2665.30		NIST
Inp	2664.00		NIST
Inp	2664.00		NIST
Inp	2663.00		NIST
Tboil	622.38	K	Relay (1.0) Calculated Property
Tc	793.90	K	Relay (1.0) Calculated Property
Tfus	311.99	K	Relay (1.0) Calculated Property
Vc	1.565	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.94; 1412.82]	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			-2.33370e+01
Coefficient B			2.57476e+00
Coefficient C			-1.44820e-03
Coefficient D			3.09600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	577.94	J/mol×K	273.00	Calculated Property
Cp,gas	720.01	J/mol×K	353.78	Calculated Property
Cp,gas	847.47	J/mol×K	434.56	Calculated Property
Cp,gas	961.30	J/mol×K	515.33	Calculated Property
Cp,gas	1062.47	J/mol×K	596.11	Calculated Property
Cp,gas	1151.97	J/mol×K	676.89	Calculated Property
Cp,gas	1230.78	J/mol×K	757.67	Calculated Property
Cp,gas	1299.87	J/mol×K	838.44	Calculated Property
Cp,gas	1360.23	J/mol×K	919.22	Calculated Property
Cp,gas	1412.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020683; 0.0000626]	Pa×s	[379.05; 700.20]	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			-1.38069e+01
Coefficient B			2.89058e+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.			379.05
Temperature range, max.			700.20
η	0.0020683	Pa×s	379.05	Calculated Property
η	0.0010732	Pa×s	414.73	Calculated Property
η	0.0006178	Pa×s	450.42	Calculated Property
η	0.0003857	Pa×s	486.10	Calculated Property
η	0.0002568	Pa×s	521.78	Calculated Property
η	0.0001802	Pa×s	557.47	Calculated Property
η	0.0001319	Pa×s	593.15	Calculated Property
η	0.0001000	Pa×s	628.83	Calculated Property
η	0.0000781	Pa×s	664.52	Calculated Property
η	0.0000626	Pa×s	700.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[533.45; 728.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47342e+01
Coefficient B			-5.29618e+03
Coefficient C			-1.66850e+02
Temperature range, min.			533.45
Temperature range, max.			728.91
Pvap	1.33	kPa	533.45	Calculated Property
Pvap	2.99	kPa	555.17	Calculated Property
Pvap	6.16	kPa	576.89	Calculated Property
Pvap	11.79	kPa	598.60	Calculated Property
Pvap	21.22	kPa	620.32	Calculated Property
Pvap	36.19	kPa	642.04	Calculated Property
Pvap	58.91	kPa	663.76	Calculated Property
Pvap	92.05	kPa	685.47	Calculated Property
Pvap	138.76	kPa	707.19	Calculated Property
Pvap	202.64	kPa	728.91	Calculated Property

Similar Compounds

Find more compounds similar to 2-methylhexacosane.

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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