Chemical Properties of PENTATRIACONTANE

InChI

InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

InChI Key

VHQQPFLOGSTQPC-UHFFFAOYSA-N

Formula

C35H72

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

492.96

Other Names

• n-Pentatriacotane
• n-pentatriacontane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	1.3935		Relay (1.0) Calculated Property
ΔfG°	243.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-773.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	86.41	kJ/mol	Joback Calculated Property
ΔvapH°	178.00	kJ/mol	NIST
IE	10.42	eV	Relay (1.0) Calculated Property
log10WS	-12.75		Relay (1.0) Calculated Property
logPoct/wat	13.899		Crippen Calculated Property
McVol	504.010	ml/mol	McGowan Calculated Property
Pc	477.14	kPa	Joback Calculated Property
Tboil	763.20	K	NIST
Tc	836.55	K	Relay (1.0) Calculated Property
Tfus	[346.00; 349.00]	K
Tfus	348.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	347.60 ± 0.10	K	NIST
Tfus	347.70 ± 0.60	K	NIST
Tfus	347.70 ± 1.00	K	NIST
Tfus	346.00 ± 3.00	K	NIST
Tfus	349.00 ± 2.00	K	NIST
Tfus	347.20 ± 0.40	K	NIST
Tfus	347.70 ± 0.60	K	NIST
Tfus	347.80 ± 0.80	K	NIST
Tfus	347.00 ± 2.00	K	NIST
Tfus	346.00 ± 2.00	K	NIST
Tfus	346.00 ± 2.00	K	NIST
Tfus	347.00 ± 4.00	K	NIST
Tfus	349.00 ± 6.00	K	NIST
Tfus	347.90 ± 3.00	K	NIST
Tfus	347.90 ± 4.00	K	NIST
Tfus	347.90 ± 3.00	K	NIST
Tfus	347.90 ± 1.00	K	NIST
Vc	2.037	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	915.90	J/mol×K	302.00	NIST
ΔfusH	[41.09; 86.40]	kJ/mol	[344.70; 347.20]
ΔfusH	41.09	kJ/mol	344.70	NIST
ΔfusH	86.40	kJ/mol	347.20	NIST
ΔfusH	86.40	kJ/mol	347.20	NIST
ΔvapH	[122.40; 178.00]	kJ/mol	[298.15; 646.50]
ΔvapH	178.00	kJ/mol	298.15	Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
ΔvapH	122.40	kJ/mol	646.50	NIST
ΔfusS	[119.20; 248.85]	J/mol×K	[344.70; 347.20]
ΔfusS	119.20	J/mol×K	344.70	NIST
ΔfusS	248.85	J/mol×K	347.20	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.96; 1825.01]	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			-2.89270e+01
Coefficient B			3.32884e+00
Coefficient C			-1.88020e-03
Coefficient D			4.05300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	747.96	J/mol×K	273.00	Calculated Property
Cp,gas	931.37	J/mol×K	353.78	Calculated Property
Cp,gas	1095.84	J/mol×K	434.56	Calculated Property
Cp,gas	1242.68	J/mol×K	515.33	Calculated Property
Cp,gas	1373.16	J/mol×K	596.11	Calculated Property
Cp,gas	1488.56	J/mol×K	676.89	Calculated Property
Cp,gas	1590.16	J/mol×K	757.67	Calculated Property
Cp,gas	1679.25	J/mol×K	838.44	Calculated Property
Cp,gas	1757.11	J/mol×K	919.22	Calculated Property
Cp,gas	1825.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0097526; 0.0000176]	Pa×s	[347.52; 888.56]	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			-1.50066e+01
Coefficient B			3.60604e+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.			347.52
Temperature range, max.			888.56
η	0.0097526	Pa×s	347.52	Calculated Property
η	0.0021114	Pa×s	407.64	Calculated Property
η	0.0006774	Pa×s	467.75	Calculated Property
η	0.0002815	Pa×s	527.87	Calculated Property
η	0.0001400	Pa×s	587.98	Calculated Property
η	0.0000793	Pa×s	648.10	Calculated Property
η	0.0000494	Pa×s	708.21	Calculated Property
η	0.0000332	Pa×s	768.33	Calculated Property
η	0.0000236	Pa×s	828.44	Calculated Property
η	0.0000176	Pa×s	888.56	Calculated Property

Similar Compounds

Find more compounds similar to PENTATRIACONTANE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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