Chemical Properties of 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

316.57

CAS

14752-75-1

Other Names

• 1-phenylheptadecane
• benzene, heptadecyl-
• 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(P) : Melting point (K).
• V_c : Critical Volume (m³/kmol).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• 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°	113.82	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	811.50	K	Relay (1.0) Calculated Property
Tfus	[305.15; 311.00]	K
Tfus	305.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	311.00 ± 2.00	K	NIST
Vc	1.227	m3/kmol	Relay (1.0) Calculated Property
VCOSTALD	1.15	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.94		Hankinson and Thomson (1979), COSTALD parameters Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	98.50	kJ/mol	539.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus(P)	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
Cp,gas	[436.14; 1087.40]	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			-5.19240e+01
Coefficient B			2.10992e+00
Coefficient C			-1.25860e-03
Coefficient D			2.88000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	436.14	J/mol×K	273.00	Calculated Property
Cp,gas	549.75	J/mol×K	353.78	Calculated Property
Cp,gas	650.91	J/mol×K	434.56	Calculated Property
Cp,gas	740.56	J/mol×K	515.33	Calculated Property
Cp,gas	819.59	J/mol×K	596.11	Calculated Property
Cp,gas	888.91	J/mol×K	676.89	Calculated Property
Cp,gas	949.45	J/mol×K	757.67	Calculated Property
Cp,gas	1002.10	J/mol×K	838.44	Calculated Property
Cp,gas	1047.78	J/mol×K	919.22	Calculated Property
Cp,gas	1087.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082333; 0.0001103]	Pa×s	[308.07; 654.73]	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			-1.29454e+01
Coefficient B			2.50954e+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.			308.07
Temperature range, max.			654.73
η	0.0082333	Pa×s	308.07	Calculated Property
η	0.0033298	Pa×s	346.59	Calculated Property
η	0.0016140	Pa×s	385.11	Calculated Property
η	0.0008925	Pa×s	423.63	Calculated Property
η	0.0005447	Pa×s	462.14	Calculated Property
η	0.0003587	Pa×s	500.66	Calculated Property
η	0.0002507	Pa×s	539.18	Calculated Property
η	0.0001838	Pa×s	577.70	Calculated Property
η	0.0001401	Pa×s	616.21	Calculated Property
η	0.0001103	Pa×s	654.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[505.45; 703.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Heptadecylbenzene.

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).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.