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

• 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).
• 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°	182.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-626.53	kJ/mol	Joback Calculated Property
ΔfusH°	64.75	kJ/mol	Joback Calculated Property
ΔvapH°	77.53	kJ/mol	Joback Calculated Property
log10WS	-11.30		Crippen 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	839.60	K	Joback Calculated Property
Tc	1029.02	K	Joback Calculated Property
Tfus	390.32	K	Joback Calculated Property
Vc	1.597	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1348.34; 1482.23]	J/mol×K	[839.60; 1029.02]
Cp,gas	1348.34	J/mol×K	839.60	Joback Calculated Property
Cp,gas	1373.75	J/mol×K	871.17	Joback Calculated Property
Cp,gas	1397.85	J/mol×K	902.74	Joback Calculated Property
Cp,gas	1420.68	J/mol×K	934.31	Joback Calculated Property
Cp,gas	1442.31	J/mol×K	965.88	Joback Calculated Property
Cp,gas	1462.81	J/mol×K	997.45	Joback Calculated Property
Cp,gas	1482.23	J/mol×K	1029.02	Joback Calculated Property
η	[0.0000300; 0.0017949]	Pa×s	[390.32; 839.60]
η	0.0017949	Pa×s	390.32	Joback Calculated Property
η	0.0005242	Pa×s	465.20	Joback Calculated Property
η	0.0002154	Pa×s	540.08	Joback Calculated Property
η	0.0001099	Pa×s	614.96	Joback Calculated Property
η	0.0000649	Pa×s	689.84	Joback Calculated Property
η	0.0000425	Pa×s	764.72	Joback Calculated Property
η	0.0000300	Pa×s	839.60	Joback Calculated Property
ΔvapH	111.90	kJ/mol	574.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[541.56; 738.70]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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