Chemical Properties of 2-Methylheptacosane (CAS 1561-00-8)

InChI

InChI=1S/C28H58/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)3/h28H,4-27H2,1-3H3

InChI Key

NIYAMIIVLUIWBI-UHFFFAOYSA-N

Formula

C28H58

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

394.76

CAS

1561-00-8

• 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).
• 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	1.1110		Relay (1.0) Calculated Property
ΔfG°	182.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-640.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.75	kJ/mol	Joback Calculated Property
ΔvapH°	140.66	kJ/mol	Relay (1.0) Calculated Property
IE	10.16	eV	Relay (1.0) Calculated Property
log10WS	-10.80		Relay (1.0) Calculated Property
logPoct/wat	11.025		Crippen Calculated Property
McVol	405.380	ml/mol	McGowan Calculated Property
Pc	658.14	kPa	Joback Calculated Property
Inp	[2761.90; 2765.30]
Inp	2761.90		NIST
Inp	2765.30		NIST
Inp	2763.00		NIST
Inp	2763.00		NIST
Inp	2763.00		NIST
Inp	2765.30		NIST
Tboil	628.62	K	Relay (1.0) Calculated Property
Tc	800.12	K	Relay (1.0) Calculated Property
Tfus	314.13	K	Relay (1.0) Calculated Property
Vc	1.621	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.15; 1464.41]	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			-2.42460e+01
Coefficient B			2.66976e+00
Coefficient C			-1.50260e-03
Coefficient D			3.21500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	599.15	J/mol×K	273.00	Calculated Property
Cp,gas	746.43	J/mol×K	353.78	Calculated Property
Cp,gas	878.55	J/mol×K	434.56	Calculated Property
Cp,gas	996.53	J/mol×K	515.33	Calculated Property
Cp,gas	1101.38	J/mol×K	596.11	Calculated Property
Cp,gas	1194.13	J/mol×K	676.89	Calculated Property
Cp,gas	1275.80	J/mol×K	757.67	Calculated Property
Cp,gas	1347.39	J/mol×K	838.44	Calculated Property
Cp,gas	1409.92	J/mol×K	919.22	Calculated Property
Cp,gas	1464.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017949; 0.0000540]	Pa×s	[390.32; 720.49]	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			-1.39697e+01
Coefficient B			2.98474e+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.			390.32
Temperature range, max.			720.49
η	0.0017949	Pa×s	390.32	Calculated Property
η	0.0009305	Pa×s	427.01	Calculated Property
η	0.0005353	Pa×s	463.69	Calculated Property
η	0.0003339	Pa×s	500.38	Calculated Property
η	0.0002222	Pa×s	537.06	Calculated Property
η	0.0001557	Pa×s	573.75	Calculated Property
η	0.0001139	Pa×s	610.43	Calculated Property
η	0.0000863	Pa×s	647.12	Calculated Property
η	0.0000674	Pa×s	683.80	Calculated Property
η	0.0000540	Pa×s	720.49	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[541.56; 738.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47686e+01
Coefficient B			-5.37400e+03
Coefficient C			-1.70450e+02
Temperature range, min.			541.56
Temperature range, max.			738.70
Pvap	1.33	kPa	541.56	Calculated Property
Pvap	2.99	kPa	563.46	Calculated Property
Pvap	6.15	kPa	585.37	Calculated Property
Pvap	11.78	kPa	607.27	Calculated Property
Pvap	21.19	kPa	629.18	Calculated Property
Pvap	36.14	kPa	651.08	Calculated Property
Pvap	58.84	kPa	672.99	Calculated Property
Pvap	91.97	kPa	694.89	Calculated Property
Pvap	138.70	kPa	716.80	Calculated Property
Pvap	202.64	kPa	738.70	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylheptacosane.

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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