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

605.16

CAS

7098-21-7

• 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).
• 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
ΔfG°	311.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.85	kJ/mol	Joback Calculated Property
ΔfusH°	107.13	kJ/mol	Joback Calculated Property
ΔvapH°	111.31	kJ/mol	Joback Calculated Property
log10WS	-17.82		Crippen 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	1183.24	K	Joback Calculated Property
Tc	1657.15	K	Joback 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	2.443	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2389.32; 2658.86]	J/mol×K	[1183.24; 1657.15]
Cp,gas	2389.32	J/mol×K	1183.24	Joback Calculated Property
Cp,gas	2442.42	J/mol×K	1262.22	Joback Calculated Property
Cp,gas	2490.27	J/mol×K	1341.21	Joback Calculated Property
Cp,gas	2534.36	J/mol×K	1420.19	Joback Calculated Property
Cp,gas	2576.17	J/mol×K	1499.18	Joback Calculated Property
Cp,gas	2617.18	J/mol×K	1578.16	Joback Calculated Property
Cp,gas	2658.86	J/mol×K	1657.15	Joback Calculated Property
η	[0.0000030; 0.0001502]	Pa×s	[574.37; 1183.24]
η	0.0001502	Pa×s	574.37	Joback Calculated Property
η	0.0000480	Pa×s	675.85	Joback Calculated Property
η	0.0000207	Pa×s	777.33	Joback Calculated Property
η	0.0000108	Pa×s	878.80	Joback Calculated Property
η	0.0000065	Pa×s	980.28	Joback Calculated Property
η	0.0000043	Pa×s	1081.76	Joback Calculated Property
η	0.0000030	Pa×s	1183.24	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[641.54; 871.03]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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