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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	1.3233		Relay (1.0) Calculated Property
ΔfG°	226.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.23	kJ/mol	Joback Calculated Property
ΔvapH°	167.60	kJ/mol	NIST
IE	10.35	eV	Relay (1.0) Calculated Property
log10WS	-12.21		Relay (1.0) 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	825.27	K	Relay (1.0) Calculated Property
Tfus	[342.60; 350.00]	K
Tfus	345.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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	1.928	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[1110.00; 1150.00]	J/mol×K	[350.00; 380.00]
Cp,liquid	1110.00	J/mol×K	350.00	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
Cp,liquid	1112.50	J/mol×K	353.00	NIST
Cp,liquid	1120.00	J/mol×K	360.00	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
Cp,liquid	1130.00	J/mol×K	370.00	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
Cp,liquid	1150.00	J/mol×K	380.00	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
Cp,solid	900.80	J/mol×K	294.40	NIST
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 Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
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
Cp,gas	[705.54; 1721.83]	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			-2.71090e+01
Coefficient B			3.13884e+00
Coefficient C			-1.77140e-03
Coefficient D			3.81500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	705.54	J/mol×K	273.00	Calculated Property
Cp,gas	878.53	J/mol×K	353.78	Calculated Property
Cp,gas	1033.69	J/mol×K	434.56	Calculated Property
Cp,gas	1172.22	J/mol×K	515.33	Calculated Property
Cp,gas	1295.34	J/mol×K	596.11	Calculated Property
Cp,gas	1404.24	J/mol×K	676.89	Calculated Property
Cp,gas	1500.13	J/mol×K	757.67	Calculated Property
Cp,gas	1584.22	J/mol×K	838.44	Calculated Property
Cp,gas	1657.72	J/mol×K	919.22	Calculated Property
Cp,gas	1721.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086777; 0.0000255]	Pa×s	[344.52; 835.85]	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			-1.46672e+01
Coefficient B			3.41772e+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.			344.52
Temperature range, max.			835.85
η	0.0086777	Pa×s	344.52	Calculated Property
η	0.0022341	Pa×s	399.11	Calculated Property
η	0.0007973	Pa×s	453.71	Calculated Property
η	0.0003550	Pa×s	508.30	Calculated Property
η	0.0001850	Pa×s	562.89	Calculated Property
η	0.0001081	Pa×s	617.48	Calculated Property
η	0.0000690	Pa×s	672.07	Calculated Property
η	0.0000471	Pa×s	726.66	Calculated Property
η	0.0000339	Pa×s	781.25	Calculated Property
η	0.0000255	Pa×s	835.85	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.92e-04; 0.02]	kPa	[434.15; 481.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			3.29637e+01
Coefficient B			-1.78430e+04
Coefficient C			-6.66886e-04
Coefficient D			6.05571e-10
Coefficient E			0.00000e+00
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
• 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
• 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
• 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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