Triacontane (CAS 638-68-6)

InChI

InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

InChI Key

JXTPJDDICSTXJX-UHFFFAOYSA-N

Formula

C30H62

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

422.81

CAS

638-68-6

Other Names

n-triacontane

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).
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).
T_triple : Triple Point Temperature (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	1.2600		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Δ_fG°	201.72	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-670.87	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	73.46	kJ/mol	Joback Calculated Property
Δ_vapH°	[152.30; 164.50]	kJ/mol
Δ_vapH°	152.30	kJ/mol	NIST
Δ_vapH°	164.50 ± 0.40	kJ/mol	NIST
IE	10.24	eV	Relay (1.0) Calculated Property
log₁₀WS	-11.40		Relay (1.0) Calculated Property
logP_oct/wat	11.949		Crippen Calculated Property
McVol	433.560	ml/mol	McGowan Calculated Property
P_c	636.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
I_np	[467.01; 488.40]
I_np	467.01		NIST
I_np	488.40		NIST
T_boil	722.90	K	NIST
T_c	[850.00; 857.00]	K
T_c	850.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
T_c	857.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
T_fus	[338.50; 344.00]	K
T_fus	339.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
T_fus	338.70 ± 0.30	K	NIST
T_fus	338.60 ± 0.40	K	NIST
T_fus	338.53 ± 0.25	K	NIST
T_fus	339.40 ± 2.00	K	NIST
T_fus	339.00 ± 2.00	K	NIST
T_fus	339.00 ± 0.10	K	NIST
T_fus	338.90 ± 0.60	K	NIST
T_fus	338.70 ± 1.00	K	NIST
T_fus	338.70 ± 1.00	K	NIST
T_fus	Outlier 344.00 ± 1.50	K	NIST
T_fus	338.90 ± 3.00	K	NIST
T_fus	338.70 ± 0.30	K	NIST
T_fus	338.90 ± 0.80	K	NIST
T_fus	339.00 ± 2.00	K	NIST
T_fus	339.00 ± 2.00	K	NIST
T_fus	340.00 ± 2.00	K	NIST
T_fus	339.00 ± 2.00	K	NIST
T_fus	339.00 ± 2.00	K	NIST
T_fus	Outlier 343.00 ± 2.00	K	NIST
T_fus	338.50 ± 0.80	K	NIST
T_fus	338.80 ± 1.00	K	NIST
T_fus	339.30 ± 1.00	K	NIST
T_triple	334.20	K	Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
V_c	1.693	m³/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[1010.00; 1100.00]	J/mol×K	[370.00; 470.00]

C_p,liquid	1010.00	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
C_p,liquid	1020.00	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
C_p,liquid	1030.00	J/mol×K	390.00	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
C_p,liquid	1040.00	J/mol×K	400.00	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
C_p,liquid	1050.00	J/mol×K	410.00	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
C_p,liquid	1060.00	J/mol×K	420.00	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
C_p,liquid	1070.00	J/mol×K	430.00	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
C_p,liquid	1080.00	J/mol×K	440.00	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
C_p,liquid	1090.00	J/mol×K	450.00	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
C_p,liquid	1100.00	J/mol×K	460.00	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
C_p,liquid	1100.00	J/mol×K	470.00	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
C_p,solid	[558.00; 808.80]	J/mol×K	[300.00; 301.00]
C_p,solid	558.00	J/mol×K	300.00	NIST
C_p,solid	808.80	J/mol×K	301.00	NIST
Δ_fusH	[37.49; 68.83]	kJ/mol	[335.30; 338.70]
Δ_fusH	37.49	kJ/mol	335.30	NIST
Δ_fusH	68.83	kJ/mol	338.70	NIST
Δ_fusH	68.83	kJ/mol	338.70	NIST
Δ_vapH	[111.30; 152.30]	kJ/mol	[298.15; 609.00]
Δ_vapH	152.30	kJ/mol	298.15	Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
Δ_vapH	143.00 ± 2.00	kJ/mol	454.50	NIST
Δ_vapH	111.30	kJ/mol	609.00	NIST
P_vap	[1.13e-03; 414.10]	kPa	[432.36; 809.60]

P_vap	1.15e-03	kPa	432.36	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
P_vap	1.13e-03	kPa	432.37	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
P_vap	2.33e-03	kPa	442.48	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
P_vap	4.57e-03	kPa	452.32	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
P_vap	4.51e-03	kPa	452.34	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
P_vap	82.32	kPa	713.50	Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
P_vap	127.80	kPa	737.80	Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
P_vap	190.20	kPa	761.20	Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
P_vap	282.40	kPa	786.00	Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
P_vap	414.10	kPa	809.60	Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
Δ_fusS	[111.82; 203.24]	J/mol×K	[335.30; 338.70]
Δ_fusS	111.82	J/mol×K	335.30	NIST
Δ_fusS	203.24	J/mol×K	338.70	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	531.70	K	0.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[641.89; 1567.06]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-2.43820e+01
Coefficient B			2.85384e+00
Coefficient C			-1.60820e-03
Coefficient D			3.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	641.89	J/mol×K	273.00	Calculated Property
C_p,gas	799.27	J/mol×K	353.78	Calculated Property
C_p,gas	940.46	J/mol×K	434.56	Calculated Property
C_p,gas	1066.53	J/mol×K	515.33	Calculated Property
C_p,gas	1178.60	J/mol×K	596.11	Calculated Property
C_p,gas	1277.75	J/mol×K	676.89	Calculated Property
C_p,gas	1365.08	J/mol×K	757.67	Calculated Property
C_p,gas	1441.68	J/mol×K	838.44	Calculated Property
C_p,gas	1508.64	J/mol×K	919.22	Calculated Property
C_p,gas	1567.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073360; 0.0001340]	Pa×s	[338.94; 597.45]	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			-1.41650e+01
Coefficient B			3.13524e+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.			338.94
Temperature range, max.			597.45

η	0.0073360	Pa×s	338.94	Calculated Property
η	0.0035614	Pa×s	367.67	Calculated Property
η	0.0019198	Pa×s	396.39	Calculated Property
η	0.0011250	Pa×s	425.11	Calculated Property
η	0.0007054	Pa×s	453.83	Calculated Property
η	0.0004676	Pa×s	482.56	Calculated Property
η	0.0003246	Pa×s	511.28	Calculated Property
η	0.0002343	Pa×s	540.00	Calculated Property
η	0.0001747	Pa×s	568.73	Calculated Property
η	0.0001340	Pa×s	597.45	Calculated Property

Similar Compounds

Find more compounds similar to Triacontane.

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).
PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
Cheméo Relay (1.0)
Crippen Method
Crippen Method
Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Thermal conductivity of heavy, even-carbon number n-alkanes (C22 to C32)
High pressure solid solid and solid liquid transition data for long chain alkanes
Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
Joback Method
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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