Chemical Properties of 2-Methylpentacosane (CAS 629-87-8)

InChI

InChI=1S/C26H54/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2)3/h26H,4-25H2,1-3H3

InChI Key

ZRNSSRODJSSVEJ-UHFFFAOYSA-N

Formula

C26H54

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

366.72

CAS

629-87-8

• 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	1.0407		Relay (1.0) Calculated Property
ΔfG°	165.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-598.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.57	kJ/mol	Joback Calculated Property
ΔvapH°	130.78	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	-10.26		Relay (1.0) Calculated Property
logPoct/wat	10.244		Crippen Calculated Property
McVol	377.200	ml/mol	McGowan Calculated Property
Pc	728.10	kPa	Joback Calculated Property
Inp	[2560.00; 2565.30]
Inp	2564.00		NIST
Inp	2562.00		NIST
Inp	Outlier 2560.00		NIST
Inp	2562.40		NIST
Inp	2565.30		NIST
Inp	2564.00		NIST
Inp	2563.00		NIST
Inp	2563.00		NIST
Inp	2564.00		NIST
Tboil	616.12	K	Relay (1.0) Calculated Property
Tc	787.57	K	Relay (1.0) Calculated Property
Tfus	309.77	K	Relay (1.0) Calculated Property
Vc	1.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.73; 1361.23]	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			-2.24280e+01
Coefficient B			2.47976e+00
Coefficient C			-1.39380e-03
Coefficient D			2.97700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	556.73	J/mol×K	273.00	Calculated Property
Cp,gas	693.59	J/mol×K	353.78	Calculated Property
Cp,gas	816.39	J/mol×K	434.56	Calculated Property
Cp,gas	926.07	J/mol×K	515.33	Calculated Property
Cp,gas	1023.56	J/mol×K	596.11	Calculated Property
Cp,gas	1109.81	J/mol×K	676.89	Calculated Property
Cp,gas	1185.76	J/mol×K	757.67	Calculated Property
Cp,gas	1252.36	J/mol×K	838.44	Calculated Property
Cp,gas	1310.53	J/mol×K	919.22	Calculated Property
Cp,gas	1361.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023771; 0.0000722]	Pa×s	[367.78; 680.54]	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			-1.36454e+01
Coefficient B			2.79642e+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.			367.78
Temperature range, max.			680.54
η	0.0023771	Pa×s	367.78	Calculated Property
η	0.0012330	Pa×s	402.53	Calculated Property
η	0.0007099	Pa×s	437.28	Calculated Property
η	0.0004433	Pa×s	472.03	Calculated Property
η	0.0002953	Pa×s	506.79	Calculated Property
η	0.0002073	Pa×s	541.54	Calculated Property
η	0.0001518	Pa×s	576.29	Calculated Property
η	0.0001152	Pa×s	611.04	Calculated Property
η	0.0000900	Pa×s	645.79	Calculated Property
η	0.0000722	Pa×s	680.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[524.97; 718.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46983e+01
Coefficient B			-5.21559e+03
Coefficient C			-1.63050e+02
Temperature range, min.			524.97
Temperature range, max.			718.68
Pvap	1.33	kPa	524.97	Calculated Property
Pvap	2.99	kPa	546.49	Calculated Property
Pvap	6.17	kPa	568.02	Calculated Property
Pvap	11.81	kPa	589.54	Calculated Property
Pvap	21.26	kPa	611.06	Calculated Property
Pvap	36.25	kPa	632.59	Calculated Property
Pvap	58.98	kPa	654.11	Calculated Property
Pvap	92.13	kPa	675.63	Calculated Property
Pvap	138.83	kPa	697.16	Calculated Property
Pvap	202.66	kPa	718.68	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylpentacosane.

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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