Chemical Properties of Hexatriacontane (CAS 630-06-8)

InChI

InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3

InChI Key

YDLYQMBWCWFRAI-UHFFFAOYSA-N

Formula

C36H74

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

506.97

CAS

630-06-8

Other Names

• n-Hexatriacontane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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°	252.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-786.37	kJ/mol	Joback Calculated Property
ΔfusH°	[81.55; 102.51]	kJ/mol
ΔfusH°	81.55	kJ/mol	Solid l...
ΔfusH°	102.51	kJ/mol	Observa...
ΔvapH°	182.80	kJ/mol	NIST
log10WS	-14.89		Crippen Calculated Property
logPoct/wat	14.290		Crippen Calculated Property
McVol	518.100	ml/mol	McGowan Calculated Property
Pc	457.74	kPa	Joback Calculated Property
Tboil	348.88	K	KDB
Tc	888.00	K	Critica...
Tfus	[348.00; 351.70]	K
Tfus	348.88	K	KDB
Tfus	349.20 ± 0.30	K	NIST
Tfus	349.05 ± 0.50	K	NIST
Tfus	349.00 ± 0.40	K	NIST
Tfus	348.70 ± 1.00	K	NIST
Tfus	349.10 ± 0.50	K	NIST
Tfus	349.00 ± 3.00	K	NIST
Tfus	350.00 ± 2.00	K	NIST
Tfus	349.10 ± 0.50	K	NIST
Tfus	348.88 ± 0.20	K	NIST
Tfus	349.90 ± 1.00	K	NIST
Tfus	349.90 ± 1.00	K	NIST
Tfus	349.40 ± 1.00	K	NIST
Tfus	348.30 ± 1.00	K	NIST
Tfus	350.00 ± 6.00	K	NIST
Tfus	349.20 ± 0.60	K	NIST
Tfus	349.00 ± 0.05	K	NIST
Tfus	349.00 ± 2.00	K	NIST
Tfus	349.20 ± 0.50	K	NIST
Tfus	349.20 ± 2.00	K	NIST
Tfus	349.20 ± 0.60	K	NIST
Tfus	348.00 ± 2.00	K	NIST
Tfus	349.00 ± 3.00	K	NIST
Tfus	349.00 ± 0.60	K	NIST
Tfus	348.40 ± 4.00	K	NIST
Tfus	Outlier 351.70 ± 4.00	K	NIST
Tfus	349.00 ± 2.00	K	NIST
Tfus	349.00 ± 2.00	K	NIST
Vc	2.051	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1894.85; 2073.02]	J/mol×K	[1023.08; 1309.38]
T(K) Ideal gas heat capacity (J/mol×K) 1900 1950 2000 2050 1100 1200 1300
Cp,gas	1894.85	J/mol×K	1023.08	Joback Calculated Property
Cp,gas	1930.41	J/mol×K	1070.80	Joback Calculated Property
Cp,gas	1963.25	J/mol×K	1118.51	Joback Calculated Property
Cp,gas	1993.67	J/mol×K	1166.23	Joback Calculated Property
Cp,gas	2021.92	J/mol×K	1213.94	Joback Calculated Property
Cp,gas	2048.28	J/mol×K	1261.66	Joback Calculated Property
Cp,gas	2073.02	J/mol×K	1309.38	Joback Calculated Property
Cp,liquid	1206.00	J/mol×K	353.00	NIST
Cp,solid	840.00	J/mol×K	300.00	NIST
η	[0.0000095; 0.0004485]	Pa×s	[495.48; 1023.08]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-4 2.00e-4 3.00e-4 4.00e-4 600 800 1000
η	0.0004485	Pa×s	495.48	Joback Calculated Property
η	0.0001455	Pa×s	583.41	Joback Calculated Property
η	0.0000634	Pa×s	671.35	Joback Calculated Property
η	0.0000335	Pa×s	759.28	Joback Calculated Property
η	0.0000202	Pa×s	847.21	Joback Calculated Property
η	0.0000134	Pa×s	935.15	Joback Calculated Property
η	0.0000095	Pa×s	1023.08	Joback Calculated Property
ΔfusH	[9.92; 102.51]	kJ/mol	[225.00; 350.20]
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 20 40 60 80 100 250 300 350
ΔfusH	87.50	kJ/mol	225.00	NIST
ΔfusH	9.92	kJ/mol	345.40	NIST
ΔfusH	30.54	kJ/mol	347.10	NIST
ΔfusH	87.60	kJ/mol	349.00	NIST
ΔfusH	102.51	kJ/mol	349.20	NIST
ΔfusH	88.83	kJ/mol	349.20	NIST
ΔfusH	88.83	kJ/mol	349.20	NIST
ΔfusH	81.60	kJ/mol	350.20	NIST
ΔvapH	[124.40; 182.80]	kJ/mol	[298.15; 553.00]
ΔvapH	182.80	kJ/mol	298.15	Vapor P...
ΔvapH	157.00 ± 2.00	kJ/mol	484.00	NIST
ΔvapH	124.40	kJ/mol	553.00	NIST
ΔfusS	[28.71; 254.41]	J/mol×K	[345.40; 349.20]
ΔfusS	28.71	J/mol×K	345.40	NIST
ΔfusS	88.01	J/mol×K	347.10	NIST
ΔfusS	254.41	J/mol×K	349.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.07; 101.61]	kPa	[535.15; 771.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.30292e+02
Coefficient B			-4.15156e+04
Coefficient C			-5.72371e+01
Coefficient D			1.45802e-05
Temperature range, min.			535.15
Temperature range, max.			771.15
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 600 700
Pvap	0.07	kPa	535.15	Calculated Property
Pvap	0.25	kPa	561.37	Calculated Property
Pvap	0.76	kPa	587.59	Calculated Property
Pvap	2.03	kPa	613.82	Calculated Property
Pvap	4.77	kPa	640.04	Calculated Property
Pvap	10.13	kPa	666.26	Calculated Property
Pvap	19.79	kPa	692.48	Calculated Property
Pvap	36.04	kPa	718.71	Calculated Property
Pvap	61.96	kPa	744.93	Calculated Property
Pvap	101.61	kPa	771.15	Calculated Property

Similar Compounds

Find more compounds similar to Hexatriacontane.

Mixtures

• Hexatriacontane + Naphthalene
• Toluene + Hexatriacontane
• Carbon disulfide + Hexatriacontane
• Hexatriacontane + Cyclohexane
• Hexatriacontane + Naphthalene, decahydro-
• Hexatriacontane + Heptane
• Naphthalene, 1-methyl- + Hexatriacontane
• Hexatriacontane + Diethyl disulfide
• Naphthalene, 1-methyl- + Carbon disulfide + Hexatriacontane
• Naphthalene, 1-methyl- + Hexatriacontane + Naphthalene, decahydro-
• Hexatriacontane + Naphthalene, decahydro- + Diethyl disulfide

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility
• Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
• Solid liquid equilibria and purity determination for binary n-alkane + naphthalene systems
• Observation of multiple phase transitions in some even n-alkanes using a high resolution and super-sensitive DSC
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.