Dotetracontane (CAS 7098-20-6)

InChI

InChI=1S/C42H86/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3

InChI Key

FTJPDYTXORWVLU-UHFFFAOYSA-N

Formula

C42H86

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

591.13

CAS

7098-20-6

Other Names

n-Dotetracontane

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_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).
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.

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Physical Properties

Property	Value	Unit	Source
ω	1.6389		Relay (1.0) Calculated Property
Δ_fG°	302.76	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-915.96	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	165.97	kJ/mol	Observation of multiple phase transitions in some even n-alkanes using a high resolution and super-sensitive DSC
Δ_vapH°	213.50	kJ/mol	NIST
IE	10.68	eV	Relay (1.0) Calculated Property
log₁₀WS	-14.65		Relay (1.0) Calculated Property
logP_oct/wat	16.630		Crippen Calculated Property
McVol	602.640	ml/mol	McGowan Calculated Property
P_c	362.81	kPa	Joback Calculated Property
T_boil	710.20	K	Relay (1.0) Calculated Property
T_c	872.84	K	Relay (1.0) Calculated Property
T_fus	[356.10; 356.10]	K
T_fus	356.10 ± 2.00	K	NIST
T_fus	356.10 ± 4.00	K	NIST
V_c	2.416	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[2318.08; 2567.37]	J/mol×K	[1160.36; 1598.77]

C_p,gas	2318.08	J/mol×K	1160.36	Joback Calculated Property
C_p,gas	2367.91	J/mol×K	1233.43	Joback Calculated Property
C_p,gas	2412.90	J/mol×K	1306.50	Joback Calculated Property
C_p,gas	2454.20	J/mol×K	1379.56	Joback Calculated Property
C_p,gas	2492.95	J/mol×K	1452.63	Joback Calculated Property
C_p,gas	2530.29	J/mol×K	1525.70	Joback Calculated Property
C_p,gas	2567.37	J/mol×K	1598.77	Joback Calculated Property
C_p,liquid	[1425.00; 1646.00]	J/mol×K	[353.00; 450.00]

C_p,liquid	1425.00	J/mol×K	353.00	NIST
C_p,liquid	1440.00	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
C_p,liquid	1463.00	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	1486.00	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	1509.00	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	1531.00	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	1554.00	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	1577.00	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	1600.00	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	1623.00	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	1646.00	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
η	[0.0000036; 0.0001763]	Pa×s	[563.10; 1160.36]

η	0.0001763	Pa×s	563.10	Joback Calculated Property
η	0.0000565	Pa×s	662.64	Joback Calculated Property
η	0.0000244	Pa×s	762.19	Joback Calculated Property
η	0.0000128	Pa×s	861.73	Joback Calculated Property
η	0.0000076	Pa×s	961.27	Joback Calculated Property
η	0.0000050	Pa×s	1060.82	Joback Calculated Property
η	0.0000036	Pa×s	1160.36	Joback Calculated Property
Δ_fusH	165.97	kJ/mol	357.30	NIST
Δ_vapH	[136.00; 213.50]	kJ/mol	[298.15; 688.50]
Δ_vapH	213.50	kJ/mol	298.15	Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number?
Δ_vapH	136.00	kJ/mol	688.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[636.54; 862.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41329e+01
Coefficient B			-5.48809e+03
Coefficient C			-2.40150e+02
Temperature range, min.			636.54
Temperature range, max.			862.28

P_vap	1.33	kPa	636.54	Calculated Property
P_vap	3.04	kPa	661.62	Calculated Property
P_vap	6.32	kPa	686.70	Calculated Property
P_vap	12.14	kPa	711.79	Calculated Property
P_vap	21.85	kPa	736.87	Calculated Property
P_vap	37.16	kPa	761.95	Calculated Property
P_vap	60.20	kPa	787.03	Calculated Property
P_vap	93.48	kPa	812.12	Calculated Property
P_vap	139.89	kPa	837.20	Calculated Property
P_vap	202.64	kPa	862.28	Calculated Property

Similar Compounds

Find more compounds similar to Dotetracontane.

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Chemical Properties of Dotetracontane (CAS 7098-20-6)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources