Chemical Properties of Tritetracontane (CAS 7098-21-7)

InChI

InChI=1S/C43H88/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3

InChI Key

PKBVGJFKBPLWOD-UHFFFAOYSA-N

Formula

C43H88

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

605.18

CAS

7098-21-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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	1.6739		Relay (1.0) Calculated Property
ΔfG°	311.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-936.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	107.13	kJ/mol	Joback Calculated Property
ΔvapH°	217.91	kJ/mol	Relay (1.0) Calculated Property
IE	10.72	eV	Relay (1.0) Calculated Property
log10WS	-14.93		Relay (1.0) Calculated Property
logPoct/wat	17.020		Crippen Calculated Property
McVol	616.730	ml/mol	McGowan Calculated Property
Pc	349.90	kPa	Joback Calculated Property
Tboil	716.36	K	Relay (1.0) Calculated Property
Tc	879.63	K	Relay (1.0) Calculated Property
Tfus	[356.50; 358.45]	K
Tfus	358.45 ± 0.25	K	NIST
Tfus	357.00 ± 2.00	K	NIST
Tfus	358.20 ± 2.00	K	NIST
Tfus	358.20 ± 1.00	K	NIST
Tfus	357.70 ± 2.00	K	NIST
Tfus	357.00 ± 4.00	K	NIST
Tfus	356.50 ± 4.00	K	NIST
Vc	2.470	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[917.67; 2237.74]	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			-3.61990e+01
Coefficient B			4.08884e+00
Coefficient C			-2.31540e-03
Coefficient D			5.00500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	917.67	J/mol×K	273.00	Calculated Property
Cp,gas	1142.71	J/mol×K	353.78	Calculated Property
Cp,gas	1344.46	J/mol×K	434.56	Calculated Property
Cp,gas	1524.52	J/mol×K	515.33	Calculated Property
Cp,gas	1684.45	J/mol×K	596.11	Calculated Property
Cp,gas	1825.85	J/mol×K	676.89	Calculated Property
Cp,gas	1950.29	J/mol×K	757.67	Calculated Property
Cp,gas	2059.37	J/mol×K	838.44	Calculated Property
Cp,gas	2154.66	J/mol×K	919.22	Calculated Property
Cp,gas	2237.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0149618; 0.0000033]	Pa×s	[357.58; 1160.20]	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			-1.63935e+01
Coefficient B			4.35932e+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.			357.58
Temperature range, max.			1160.20
η	0.0149618	Pa×s	357.58	Calculated Property
η	0.0013125	Pa×s	446.76	Calculated Property
η	0.0002588	Pa×s	535.94	Calculated Property
η	0.0000811	Pa×s	625.12	Calculated Property
η	0.0000340	Pa×s	714.30	Calculated Property
η	0.0000172	Pa×s	803.48	Calculated Property
η	0.0000100	Pa×s	892.66	Calculated Property
η	0.0000064	Pa×s	981.84	Calculated Property
η	0.0000044	Pa×s	1071.02	Calculated Property
η	0.0000033	Pa×s	1160.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[641.54; 871.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40245e+01
Coefficient B			-5.46721e+03
Coefficient C			-2.43550e+02
Temperature range, min.			641.54
Temperature range, max.			871.03
Pvap	1.33	kPa	641.54	Calculated Property
Pvap	3.05	kPa	667.04	Calculated Property
Pvap	6.35	kPa	692.54	Calculated Property
Pvap	12.21	kPa	718.04	Calculated Property
Pvap	21.97	kPa	743.54	Calculated Property
Pvap	37.35	kPa	769.03	Calculated Property
Pvap	60.45	kPa	794.53	Calculated Property
Pvap	93.76	kPa	820.03	Calculated Property
Pvap	140.12	kPa	845.53	Calculated Property
Pvap	202.66	kPa	871.03	Calculated Property

Similar Compounds

Find more compounds similar to Tritetracontane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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