Chemical Properties of Eicosane, 7-hexyl- (CAS 55333-99-8)

InChI

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

InChI Key

JRLUJYJPNVXXKS-UHFFFAOYSA-N

Formula

C26H54

SMILES

CCCCCCCCCCCCCC(CCCCCC)CCCCCC

Molecular Weight¹

366.72

CAS

55333-99-8

Other Names

• 7-Hexyleicosane
• 7-n-Hexyleicosane

• 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).
• 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	1.0127		Relay (1.0) Calculated Property
ΔfG°	165.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-580.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.57	kJ/mol	Joback Calculated Property
ΔvapH°	121.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-10.17		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
Tboil	617.07	K	Relay (1.0) Calculated Property
Tc	788.87	K	Relay (1.0) Calculated Property
Tfus	[283.35; 283.40]	K
Tfus	283.35	K	NIST
Tfus	283.40 ± 2.00	K	NIST
Tfus	283.40 ± 0.50	K	NIST
Vc	1.468	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	[0.0228814; 0.0000722]	Pa×s	[283.38; 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.			283.38
Temperature range, max.			680.54
η	0.0228814	Pa×s	283.38	Calculated Property
η	0.0060540	Pa×s	327.51	Calculated Property
η	0.0021965	Pa×s	371.64	Calculated Property
η	0.0009883	Pa×s	415.77	Calculated Property
η	0.0005183	Pa×s	459.90	Calculated Property
η	0.0003044	Pa×s	504.03	Calculated Property
η	0.0001947	Pa×s	548.16	Calculated Property
η	0.0001332	Pa×s	592.29	Calculated Property
η	0.0000960	Pa×s	636.41	Calculated Property
η	0.0000722	Pa×s	680.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[524.00; 702.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63784e+01
Coefficient B			-6.33671e+03
Coefficient C			-1.30190e+02
Temperature range, min.			524.00
Temperature range, max.			702.77
Pvap	1.33	kPa	524.00	Calculated Property
Pvap	2.89	kPa	543.86	Calculated Property
Pvap	5.82	kPa	563.73	Calculated Property
Pvap	11.05	kPa	583.59	Calculated Property
Pvap	19.87	kPa	603.45	Calculated Property
Pvap	34.07	kPa	623.32	Calculated Property
Pvap	56.03	kPa	643.18	Calculated Property
Pvap	88.80	kPa	663.04	Calculated Property
Pvap	136.15	kPa	682.91	Calculated Property
Pvap	202.64	kPa	702.77	Calculated Property

Similar Compounds

Find more compounds similar to Eicosane, 7-hexyl-.

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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