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-
• Octadecylbenzene
• n-Octadecylbenzene

• 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).
• 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.
• 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 : Melting point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	263.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-302.16	kJ/mol	Joback Calculated Property
ΔfusH°	51.96	kJ/mol	Joback Calculated Property
ΔvapH°	71.29	kJ/mol	Joback Calculated Property
log10WS	-8.97		Crippen 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
I	[2712.90; 2712.90]
I	2712.90		NIST
I	2712.90		NIST
Tboil	775.20	K	Joback Calculated Property
Tc	958.96	K	Joback Calculated Property
Tfus	[298.65; 309.65]	K
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	1.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1007.10; 1118.63]	J/mol×K	[775.20; 958.96]
Cp,gas	1007.10	J/mol×K	775.20	Joback Calculated Property
Cp,gas	1028.27	J/mol×K	805.83	Joback Calculated Property
Cp,gas	1048.34	J/mol×K	836.45	Joback Calculated Property
Cp,gas	1067.36	J/mol×K	867.08	Joback Calculated Property
Cp,gas	1085.38	J/mol×K	897.70	Joback Calculated Property
Cp,gas	1102.45	J/mol×K	928.33	Joback Calculated Property
Cp,gas	1118.63	J/mol×K	958.96	Joback Calculated Property
η	[0.0000587; 0.0017168]	Pa×s	[386.66; 775.20]
η	0.0017168	Pa×s	386.66	Joback Calculated Property
η	0.0006534	Pa×s	451.42	Joback Calculated Property
η	0.0003169	Pa×s	516.17	Joback Calculated Property
η	0.0001806	Pa×s	580.93	Joback Calculated Property
η	0.0001152	Pa×s	645.69	Joback Calculated Property
η	0.0000798	Pa×s	710.44	Joback Calculated Property
η	0.0000587	Pa×s	775.20	Joback Calculated Property
ΔvapH	101.00	kJ/mol	549.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus	[307.90; 329.50]	K	[100.00; 99600.00]
Tfus	307.90	K	100.00	Solid-L...
Tfus	312.50	K	20100.00	Solid-L...
Tfus	319.50	K	50300.00	Solid-L...
Tfus	324.50	K	74900.00	Solid-L...
Tfus	329.50	K	99600.00	Solid-L...

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
Pvap	[1.33; 202.64]	kPa	[514.19; 717.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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