Chemical Properties of Benzene, octadecyl- (CAS 4445-07-2)

InChI

InChI=1S/C24H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3

InChI Key

WSVDSBZMYJJMSB-UHFFFAOYSA-N

Formula

C24H42

SMILES

CCCCCCCCCCCCCCCCCCc1ccccc1

Molecular Weight¹

330.59

CAS

4445-07-2

Other Names

• 1-phenyloctadecane
• 2-Phenyloctadecane
• Octadecane, 1-phenyl-
• n-Octadecylbenzene
• octadecylbenzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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).
• 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.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_fus(P) : Melting point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9547		Relay (1.0) Calculated Property
ΔfG°	263.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.96	kJ/mol	Joback Calculated Property
ΔvapH°	118.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-8.85		Relay (1.0) Calculated Property
logPoct/wat	8.491		Crippen Calculated Property
McVol	325.260	ml/mol	McGowan Calculated Property
Pc	982.08	kPa	Joback Calculated Property
Inp	[2483.00; 2509.10]
Inp	2483.00		NIST
Inp	2509.10		NIST
Inp	2494.30		NIST
Ip	[2712.90; 2712.90]
Ip	2712.90		NIST
Ip	2712.90		NIST
Tboil	632.74	K	Relay (1.0) Calculated Property
Tc	818.35	K	Relay (1.0) Calculated Property
Tfus	[298.65; 309.65]	K
Tfus	302.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	308.65 ± 2.00	K	NIST
Tfus	308.65 ± 2.00	K	NIST
Tfus	308.00 ± 3.00	K	NIST
Tfus	309.65 ± 1.00	K	NIST
Tfus	303.15 ± 2.00	K	NIST
Tfus	Outlier 298.65 ± 3.00	K	NIST
Tfus	306.00 ± 1.50	K	NIST
Tfus	308.65 ± 2.00	K	NIST
Tfus	308.70 ± 2.00	K	NIST
Tfus	308.15 ± 2.00	K	NIST
Tfus	302.15 ± 3.00	K	NIST
Tfus	309.00 ± 3.00	K	NIST
Vc	1.283	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	101.00	kJ/mol	549.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus(P)	[307.90; 329.50]	K	[100.00; 99600.00]
Tfus(P)	307.90	K	100.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus(P)	312.50	K	20100.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus(P)	319.50	K	50300.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus(P)	324.50	K	74900.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus(P)	329.50	K	99600.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes

Datasets

Speed of sound, m/s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Speed of sound, m/s - Liquid
100.00	313.15	1392.9
100.00	323.15	1357.8
100.00	333.15	1325.5
100.00	343.15	1292.7
100.00	353.15	1260.7
100.00	363.15	1229.5
100.00	373.15	1198.7
10000.00	313.15	1439.6
10000.00	323.15	1406.8
10000.00	333.15	1374.8
10000.00	343.15	1344.1
10000.00	353.15	1313.4
10000.00	363.15	1284.8
10000.00	373.15	1255.2
20000.00	313.15	1484.1
20000.00	323.15	1452.4
20000.00	333.15	1422.6
20000.00	343.15	1392.8
20000.00	353.15	1364.1
20000.00	363.15	1334.9
20000.00	373.15	1308.3
30000.00	313.15	1525.8
30000.00	323.15	1495.5
30000.00	333.15	1466.1
30000.00	343.15	1437.7
30000.00	353.15	1410.0
30000.00	363.15	1382.7
30000.00	373.15	1356.6
40000.00	313.15	1564.8
40000.00	323.15	1535.6
40000.00	333.15	1507.5
40000.00	343.15	1480.2
40000.00	353.15	1454.0
40000.00	363.15	1427.1
40000.00	373.15	1401.7
50000.00	313.15	1602.4
50000.00	323.15	1574.0
50000.00	333.15	1546.7
50000.00	343.15	1519.9
50000.00	353.15	1494.4
50000.00	363.15	1469.1
50000.00	373.15	1444.5
60000.00	313.15	1638.1
60000.00	323.15	1610.3
60000.00	333.15	1583.5
60000.00	343.15	1558.1
60000.00	353.15	1532.6
60000.00	363.15	1508.3
60000.00	373.15	1484.7
70000.00	313.15	1672.1
70000.00	323.15	1645.1
70000.00	333.15	1619.1
70000.00	343.15	1594.2
70000.00	353.15	1569.2
70000.00	363.15	1545.7
70000.00	373.15	1522.0
80000.00	313.15	1704.7
80000.00	323.15	1678.7
80000.00	333.15	1652.8
80000.00	343.15	1628.6
80000.00	353.15	1604.3
80000.00	363.15	1581.7
80000.00	373.15	1558.6
90000.00	323.15	1710.4
90000.00	333.15	1685.7
90000.00	343.15	1661.5
90000.00	353.15	1638.2
90000.00	363.15	1615.7
90000.00	373.15	1592.9
100000.00	323.15	1741.3
100000.00	333.15	1717.0
100000.00	343.15	1693.1
100000.00	353.15	1670.3
100000.00	363.15	1648.3
100000.00	373.15	1626.3
110000.00	323.15	1771.2
110000.00	333.15	1747.3
110000.00	343.15	1723.6
110000.00	353.15	1701.4
110000.00	363.15	1679.8
110000.00	373.15	1657.9
120000.00	323.15	1799.2
120000.00	333.15	1775.7
120000.00	343.15	1753.5
120000.00	353.15	1731.3
120000.00	363.15	1710.0
120000.00	373.15	1688.5
130000.00	333.15	1803.9
130000.00	343.15	1781.9
130000.00	353.15	1759.9
130000.00	363.15	1739.2
130000.00	373.15	1718.7
140000.00	333.15	1830.9
140000.00	343.15	1809.4
140000.00	353.15	1788.8
140000.00	363.15	1767.5
140000.00	373.15	1746.6
150000.00	333.15	1857.5
150000.00	343.15	1836.3
150000.00	353.15	1815.1
150000.00	363.15	1795.5
150000.00	373.15	1774.6
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.36; 1138.99]	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			-5.28330e+01
Coefficient B			2.20492e+00
Coefficient C			-1.31300e-03
Coefficient D			2.99900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	457.36	J/mol×K	273.00	Calculated Property
Cp,gas	576.16	J/mol×K	353.78	Calculated Property
Cp,gas	681.99	J/mol×K	434.56	Calculated Property
Cp,gas	775.79	J/mol×K	515.33	Calculated Property
Cp,gas	858.50	J/mol×K	596.11	Calculated Property
Cp,gas	931.07	J/mol×K	676.89	Calculated Property
Cp,gas	994.46	J/mol×K	757.67	Calculated Property
Cp,gas	1049.61	J/mol×K	838.44	Calculated Property
Cp,gas	1097.47	J/mol×K	919.22	Calculated Property
Cp,gas	1138.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0098780; 0.0000987]	Pa×s	[306.91; 671.44]	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			-1.31011e+01
Coefficient B			2.60370e+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.			306.91
Temperature range, max.			671.44
η	0.0098780	Pa×s	306.91	Calculated Property
η	0.0036738	Pa×s	347.41	Calculated Property
η	0.0016798	Pa×s	387.92	Calculated Property
η	0.0008906	Pa×s	428.42	Calculated Property
η	0.0005269	Pa×s	468.92	Calculated Property
η	0.0003388	Pa×s	509.43	Calculated Property
η	0.0002325	Pa×s	549.93	Calculated Property
η	0.0001680	Pa×s	590.43	Calculated Property
η	0.0001266	Pa×s	630.94	Calculated Property
η	0.0000987	Pa×s	671.44	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[514.19; 717.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39373e+01
Coefficient B			-4.75677e+03
Coefficient C			-1.65703e+02
Temperature range, min.			514.19
Temperature range, max.			717.16
Pvap	1.33	kPa	514.19	Calculated Property
Pvap	3.06	kPa	536.74	Calculated Property
Pvap	6.37	kPa	559.29	Calculated Property
Pvap	12.26	kPa	581.85	Calculated Property
Pvap	22.07	kPa	604.40	Calculated Property
Pvap	37.50	kPa	626.95	Calculated Property
Pvap	60.65	kPa	649.50	Calculated Property
Pvap	93.98	kPa	672.06	Calculated Property
Pvap	140.28	kPa	694.61	Calculated Property
Pvap	202.64	kPa	717.16	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, octadecyl-.

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).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Speed of Sound, Density, and Compressibility of Alkyl-Benzenes as a Function of Pressure and Temperature: Heptadecylbenzene and Octadecylbenzene
• Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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