Chemical Properties of Pentadecane, 2,6,10,14-tetramethyl- (CAS 1921-70-6)

InChI

InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3

InChI Key

XOJVVFBFDXDTEG-UHFFFAOYSA-N

Formula

C19H40

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

268.52

CAS

1921-70-6

Other Names

• 2,6,10,10-tetramethylpentadecane
• 2,6,10,14-Tetramethylpentadecane
• 2,6,10,14-Tetramethylpentadecane (pristane)
• Bute hydrocarbon
• Norphytan
• Norphytane
• Norphytane, robuoy
• Pristan
• Pristane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_vapH° : Enthalpy of vaporization at standard conditions (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.
• I : Polar retention indices.
• 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	0.6918		Relay (1.0) Calculated Property
ΔfG°	99.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-507.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.87	kJ/mol	Joback Calculated Property
ΔvapH°	82.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-8.11		Relay (1.0) Calculated Property
logPoct/wat	7.082		Crippen Calculated Property
McVol	278.570	ml/mol	McGowan Calculated Property
Pc	1103.74	kPa	Joback Calculated Property
Inp	[283.84; 1712.00]
Inp	1709.00		NIST
Inp	1697.00		NIST
Inp	1682.00		NIST
Inp	1687.00		NIST
Inp	1681.90		NIST
Inp	1708.00		NIST
Inp	1709.00		NIST
Inp	1687.00		NIST
Inp	1687.00		NIST
Inp	1709.00		NIST
Inp	1687.00		NIST
Inp	1707.00		NIST
Inp	1681.00		NIST
Inp	1684.00		NIST
Inp	1685.00		NIST
Inp	1685.00		NIST
Inp	1687.00		NIST
Inp	1687.00		NIST
Inp	1687.00		NIST
Inp	1688.00		NIST
Inp	1692.00		NIST
Inp	1703.00		NIST
Inp	1712.00		NIST
Inp	1710.00		NIST
Inp	1708.00		NIST
Inp	1703.70		NIST
Inp	1703.00		NIST
Inp	1702.00		NIST
Inp	1712.00		NIST
Inp	1701.00		NIST
Inp	1696.00		NIST
Inp	1704.00		NIST
Inp	1685.00		NIST
Inp	1649.00		NIST
Inp	1705.00		NIST
Inp	1703.00		NIST
Inp	1710.00		NIST
Inp	1684.00		NIST
Inp	1692.00		NIST
Inp	1709.00		NIST
Inp	1709.00		NIST
Inp	1687.00		NIST
Inp	1712.00		NIST
Inp	Outlier 283.84		NIST
Inp	Outlier 288.01		NIST
Inp	1709.00		NIST
Inp	1708.00		NIST
Inp	1687.00		NIST
Inp	1707.00		NIST
Inp	1703.00		NIST
I	[1655.00; 1675.00]
I	1664.00		NIST
I	1669.00		NIST
I	1671.00		NIST
I	1672.00		NIST
I	1670.00		NIST
I	1672.00		NIST
I	Outlier 1655.00		NIST
I	1668.00		NIST
I	1664.00		NIST
I	1675.00		NIST
I	1675.00		NIST
Tboil	563.26	K	Relay (1.0) Calculated Property
Tc	719.82	K	Relay (1.0) Calculated Property
Tfus	173.20 ± 10.00	K	NIST
Vc	1.063	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.78; 899.57]	J/mol×K	[632.56; 800.21]
Cp,gas	782.78	J/mol×K	632.56	Joback Calculated Property
Cp,gas	804.50	J/mol×K	660.50	Joback Calculated Property
Cp,gas	825.28	J/mol×K	688.44	Joback Calculated Property
Cp,gas	845.14	J/mol×K	716.38	Joback Calculated Property
Cp,gas	864.13	J/mol×K	744.32	Joback Calculated Property
Cp,gas	882.26	J/mol×K	772.26	Joback Calculated Property
Cp,gas	899.57	J/mol×K	800.21	Joback Calculated Property
Cp,liquid	[569.76; 669.00]	J/mol×K	[298.15; 400.00]
Cp,liquid	569.76	J/mol×K	298.15	NIST
Cp,liquid	573.00	J/mol×K	300.00	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	582.00	J/mol×K	310.00	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	592.00	J/mol×K	320.00	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	601.00	J/mol×K	330.00	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	611.00	J/mol×K	340.00	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	621.00	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	630.00	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	640.00	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	649.00	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,liquid	659.00	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
Cp,liquid	669.00	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
η	[0.0000821; 0.0238146]	Pa×s	[243.89; 632.56]
η	0.0238146	Pa×s	243.89	Joback Calculated Property
η	0.0034334	Pa×s	308.67	Joback Calculated Property
η	0.0009692	Pa×s	373.45	Joback Calculated Property
η	0.0003976	Pa×s	438.22	Joback Calculated Property
η	0.0002052	Pa×s	503.00	Joback Calculated Property
η	0.0001232	Pa×s	567.78	Joback Calculated Property
η	0.0000821	Pa×s	632.56	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[432.82; 602.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52108e+01
Coefficient B			-4.97608e+03
Coefficient C			-9.93740e+01
Temperature range, min.			432.82
Temperature range, max.			602.04
Pvap	1.33	kPa	432.82	Calculated Property
Pvap	2.96	kPa	451.62	Calculated Property
Pvap	6.05	kPa	470.42	Calculated Property
Pvap	11.55	kPa	489.23	Calculated Property
Pvap	20.78	kPa	508.03	Calculated Property
Pvap	35.50	kPa	526.83	Calculated Property
Pvap	57.98	kPa	545.63	Calculated Property
Pvap	91.01	kPa	564.44	Calculated Property
Pvap	137.93	kPa	583.24	Calculated Property
Pvap	202.63	kPa	602.04	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecane, 2,6,10,14-tetramethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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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