Chemical Properties of Tritriacontane (CAS 630-05-7)

InChI

InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChI Key

SUJUOAZFECLBOA-UHFFFAOYSA-N

Formula

C33H68

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

464.89

CAS

630-05-7

Other Names

• n-Tritriacontane

• 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).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (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°	226.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-724.45	kJ/mol	Joback Calculated Property
ΔfusH°	81.23	kJ/mol	Joback Calculated Property
ΔvapH°	167.60	kJ/mol	NIST
log10WS	-13.64		Crippen Calculated Property
logPoct/wat	13.119		Crippen Calculated Property
McVol	475.830	ml/mol	McGowan Calculated Property
Pc	519.83	kPa	Joback Calculated Property
Inp	500.99		NIST
S°solid,1 bar	877.80	J/mol×K	NIST
Tboil	344.15	K	KDB
Tc	1193.81	K	Joback Calculated Property
Tfus	[342.60; 350.00]	K
Tfus	345.00 ± 1.50	K	NIST
Tfus	Outlier 350.00 ± 2.00	K	NIST
Tfus	345.20 ± 0.60	K	NIST
Tfus	344.20 ± 0.20	K	NIST
Tfus	344.70 ± 2.00	K	NIST
Tfus	344.30 ± 0.60	K	NIST
Tfus	344.30 ± 2.00	K	NIST
Tfus	344.30 ± 2.00	K	NIST
Tfus	342.60 ± 5.00	K	NIST
Tfus	345.00 ± 5.00	K	NIST
Tfus	345.00 ± 4.00	K	NIST
Vc	1.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1686.75; 1844.59]	J/mol×K	[954.44; 1193.81]
Cp,gas	1686.75	J/mol×K	954.44	Joback Calculated Property
Cp,gas	1717.62	J/mol×K	994.34	Joback Calculated Property
Cp,gas	1746.46	J/mol×K	1034.23	Joback Calculated Property
Cp,gas	1773.44	J/mol×K	1074.13	Joback Calculated Property
Cp,gas	1798.68	J/mol×K	1114.02	Joback Calculated Property
Cp,gas	1822.35	J/mol×K	1153.92	Joback Calculated Property
Cp,gas	1844.59	J/mol×K	1193.81	Joback Calculated Property
Cp,liquid	1112.50	J/mol×K	353.00	NIST
Cp,solid	900.80	J/mol×K	294.40	NIST
η	[0.0000153; 0.0007002]	Pa×s	[461.67; 954.44]
η	0.0007002	Pa×s	461.67	Joback Calculated Property
η	0.0002289	Pa×s	543.80	Joback Calculated Property
η	0.0001003	Pa×s	625.93	Joback Calculated Property
η	0.0000533	Pa×s	708.05	Joback Calculated Property
η	0.0000323	Pa×s	790.18	Joback Calculated Property
η	0.0000215	Pa×s	872.31	Joback Calculated Property
η	0.0000153	Pa×s	954.44	Joback Calculated Property
ΔfusH	[105.02; 105.04]	kJ/mol	[344.00; 344.20]
ΔfusH	105.02	kJ/mol	344.00	NIST
ΔfusH	105.04	kJ/mol	344.20	NIST
ΔvapH	[118.00; 167.60]	kJ/mol	[298.15; 633.00]
ΔvapH	167.60	kJ/mol	298.15	Vapor P...
ΔvapH	148.00 ± 1.00	kJ/mol	459.00	NIST
ΔvapH	118.00	kJ/mol	633.00	NIST
ΔfusS	305.20	J/mol×K	344.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.92e-04; 0.02]	kPa	[434.15; 481.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.29637e+01
Coefficient B			-1.78430e+04
Coefficient C			-6.66886e-04
Coefficient D			6.05571e-10
Temperature range, min.			434.15
Temperature range, max.			481.15
Pvap	2.92e-04	kPa	434.15	Calculated Property
Pvap	4.76e-04	kPa	439.37	Calculated Property
Pvap	7.67e-04	kPa	444.59	Calculated Property
Pvap	1.22e-03	kPa	449.82	Calculated Property
Pvap	1.93e-03	kPa	455.04	Calculated Property
Pvap	3.00e-03	kPa	460.26	Calculated Property
Pvap	4.64e-03	kPa	465.48	Calculated Property
Pvap	7.10e-03	kPa	470.71	Calculated Property
Pvap	0.01	kPa	475.93	Calculated Property
Pvap	0.02	kPa	481.15	Calculated Property

Similar Compounds

Find more compounds similar to Tritriacontane.

Mixtures

• Toluene + Tritriacontane

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
• 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.