Chemical Properties of n-Heptadecylbenzene (CAS 14752-75-1)

InChI

InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3

InChI Key

ZMPPFNHWXMJARX-UHFFFAOYSA-N

Formula

C23H40

SMILES

CCCCCCCCCCCCCCCCCc1ccccc1

Molecular Weight¹

316.56

CAS

14752-75-1

Other Names

• 1-Phenylheptadecane
• Benzene, heptadecyl-
• Heptadecylbenzene
• heptadecane, 1-phenyl-

• 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).
• 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
ω	0.9199		Relay (1.0) Calculated Property
ΔfG°	255.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.37	kJ/mol	Joback Calculated Property
ΔvapH°	112.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-8.57		Relay (1.0) Calculated Property
logPoct/wat	8.101		Crippen Calculated Property
McVol	311.170	ml/mol	McGowan Calculated Property
Pc	1043.95	kPa	Joback Calculated Property
Tboil	626.30	K	Relay (1.0) Calculated Property
Tc	809.40	K	Relay (1.0) Calculated Property
Tfus	311.00 ± 2.00	K	NIST
Vc	1.226	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.69; 1056.00]	J/mol×K	[752.32; 935.08]
Cp,gas	945.69	J/mol×K	752.32	Joback Calculated Property
Cp,gas	966.62	J/mol×K	782.78	Joback Calculated Property
Cp,gas	986.46	J/mol×K	813.24	Joback Calculated Property
Cp,gas	1005.27	J/mol×K	843.70	Joback Calculated Property
Cp,gas	1023.10	J/mol×K	874.16	Joback Calculated Property
Cp,gas	1039.99	J/mol×K	904.62	Joback Calculated Property
Cp,gas	1056.00	J/mol×K	935.08	Joback Calculated Property
η	[0.0000671; 0.0019107]	Pa×s	[375.39; 752.32]
η	0.0019107	Pa×s	375.39	Joback Calculated Property
η	0.0007328	Pa×s	438.21	Joback Calculated Property
η	0.0003574	Pa×s	501.03	Joback Calculated Property
η	0.0002045	Pa×s	563.86	Joback Calculated Property
η	0.0001309	Pa×s	626.68	Joback Calculated Property
η	0.0000909	Pa×s	689.50	Joback Calculated Property
η	0.0000671	Pa×s	752.32	Joback Calculated Property
ΔvapH	98.50	kJ/mol	539.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus	292.80	K	100.00	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	303.15	1422.6
100.00	313.15	1387.1
100.00	323.15	1352.6
100.00	333.15	1319.9
100.00	343.15	1287.0
100.00	353.15	1255.2
100.00	363.15	1223.6
100.00	373.15	1193.0
10000.00	303.15	1467.5
10000.00	313.15	1433.6
10000.00	323.15	1402.3
10000.00	333.15	1370.2
10000.00	343.15	1338.7
10000.00	353.15	1308.6
10000.00	363.15	1278.7
10000.00	373.15	1249.5
20000.00	303.15	1510.9
20000.00	313.15	1479.2
20000.00	323.15	1447.9
20000.00	333.15	1417.3
20000.00	343.15	1387.3
20000.00	353.15	1359.3
20000.00	363.15	1330.3
20000.00	373.15	1302.6
30000.00	303.15	1552.0
30000.00	313.15	1520.4
30000.00	323.15	1490.8
30000.00	333.15	1461.4
30000.00	343.15	1432.3
30000.00	353.15	1405.3
30000.00	363.15	1378.0
30000.00	373.15	1351.4
40000.00	303.15	1590.5
40000.00	313.15	1559.7
40000.00	323.15	1531.1
40000.00	333.15	1502.9
40000.00	343.15	1475.5
40000.00	353.15	1448.5
40000.00	363.15	1422.2
40000.00	373.15	1396.8
50000.00	303.15	1627.2
50000.00	313.15	1597.9
50000.00	323.15	1569.2
50000.00	333.15	1542.1
50000.00	343.15	1515.3
50000.00	353.15	1489.5
50000.00	363.15	1464.0
50000.00	373.15	1439.2
60000.00	303.15	1661.9
60000.00	313.15	1633.6
60000.00	323.15	1605.8
60000.00	333.15	1579.2
60000.00	343.15	1553.3
60000.00	353.15	1528.3
60000.00	363.15	1503.3
60000.00	373.15	1479.7
70000.00	303.15	1695.6
70000.00	313.15	1667.3
70000.00	323.15	1640.7
70000.00	333.15	1614.6
70000.00	343.15	1589.5
70000.00	353.15	1564.8
70000.00	363.15	1541.1
70000.00	373.15	1517.7
80000.00	313.15	1700.0
80000.00	323.15	1673.9
80000.00	333.15	1648.7
80000.00	343.15	1624.1
80000.00	353.15	1600.1
80000.00	363.15	1576.4
80000.00	373.15	1553.8
90000.00	313.15	1731.8
90000.00	323.15	1705.8
90000.00	333.15	1681.3
90000.00	343.15	1657.2
90000.00	353.15	1633.4
90000.00	363.15	1610.7
90000.00	373.15	1588.6
100000.00	313.15	1762.0
100000.00	323.15	1736.6
100000.00	333.15	1712.2
100000.00	343.15	1688.0
100000.00	353.15	1665.5
100000.00	363.15	1643.4
100000.00	373.15	1621.8
110000.00	313.15	1790.2
110000.00	323.15	1766.3
110000.00	333.15	1742.3
110000.00	343.15	1719.2
110000.00	353.15	1696.9
110000.00	363.15	1674.6
110000.00	373.15	1653.6
120000.00	313.15	1818.7
120000.00	323.15	1794.9
120000.00	333.15	1771.7
120000.00	343.15	1748.7
120000.00	353.15	1726.9
120000.00	363.15	1705.0
120000.00	373.15	1684.3
130000.00	313.15	1847.1
130000.00	323.15	1822.8
130000.00	333.15	1799.8
130000.00	343.15	1777.4
130000.00	353.15	1755.8
130000.00	363.15	1734.4
130000.00	373.15	1713.8
140000.00	323.15	1849.3
140000.00	333.15	1826.9
140000.00	343.15	1805.0
140000.00	353.15	1783.8
140000.00	363.15	1763.3
140000.00	373.15	1742.7
150000.00	323.15	1875.5
150000.00	333.15	1853.6
150000.00	343.15	1832.0
150000.00	353.15	1811.1
150000.00	363.15	1790.0
150000.00	373.15	1770.5
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[505.45; 703.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41856e+01
Coefficient B			-4.87150e+03
Coefficient C			-1.54932e+02
Temperature range, min.			505.45
Temperature range, max.			703.89
Pvap	1.33	kPa	505.45	Calculated Property
Pvap	3.03	kPa	527.50	Calculated Property
Pvap	6.30	kPa	549.55	Calculated Property
Pvap	12.11	kPa	571.60	Calculated Property
Pvap	21.79	kPa	593.65	Calculated Property
Pvap	37.07	kPa	615.69	Calculated Property
Pvap	60.09	kPa	637.74	Calculated Property
Pvap	93.36	kPa	659.79	Calculated Property
Pvap	139.80	kPa	681.84	Calculated Property
Pvap	202.66	kPa	703.89	Calculated Property

Similar Compounds

Find more compounds similar to n-Heptadecylbenzene.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.