Chemical Properties of n-Heptadecanol-1 (CAS 1454-85-9)

InChI

InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3

InChI Key

GOQYKNQRPGWPLP-UHFFFAOYSA-N

Formula

C17H36O

SMILES

CCCCCCCCCCCCCCCCCO

Molecular Weight¹

256.47

CAS

1454-85-9

Other Names

• 1-HEPTADECANOL
• 1-HYDROXYHEPTADECANE
• Heptadecan-1-ol
• Heptadecanol
• Heptadecyl alcohol
• N-HEPTADECYL ALCOHOL

• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-44.67	kJ/mol	KDB
ΔfH°gas	-546.30	kJ/mol	KDB
ΔfusH°	39.40	kJ/mol	Heat ca...
ΔvapH°	112.50 ± 0.50	kJ/mol	NIST
log10WS	-6.20		Crippen Calculated Property
logPoct/wat	5.850		Crippen Calculated Property
McVol	256.260	ml/mol	McGowan Calculated Property
Pc	1500.00	kPa	KDB
Inp	[1941.00; 1993.10]
Inp	1979.00		NIST
Inp	1974.00		NIST
Inp	1986.00		NIST
Inp	1941.00		NIST
Inp	1975.00		NIST
Inp	1960.00		NIST
Inp	1993.10		NIST
Inp	1968.00		NIST
Inp	1960.00		NIST
Inp	1960.00		NIST
Inp	1982.00		NIST
Inp	1949.00		NIST
Inp	1993.00		NIST
Inp	1941.00		NIST
Inp	1993.00		NIST
I	[2445.00; 2524.00]
I	2445.00		NIST
I	2482.00		NIST
I	2524.00		NIST
I	2496.00		NIST
I	2475.00		NIST
I	2475.00		NIST
I	2451.00		NIST
I	2498.00		NIST
I	2475.00		NIST
I	2498.00		NIST
Tboil	[581.20; 606.00]	K
Tboil	606.00	K	KDB
Tboil	581.20	K	NIST
Tc	780.00	K	KDB
Tfus	[325.30; 327.15]	K
Tfus	326.90	K	KDB
Tfus	325.30	K	Evaluat...
Tfus	327.15 ± 0.40	K	NIST
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[749.49; 843.94]	J/mol×K	[680.54; 841.88]
Cp,gas	749.49	J/mol×K	680.54	Joback Calculated Property
Cp,gas	766.98	J/mol×K	707.43	Joback Calculated Property
Cp,gas	783.74	J/mol×K	734.32	Joback Calculated Property
Cp,gas	799.79	J/mol×K	761.21	Joback Calculated Property
Cp,gas	815.16	J/mol×K	788.10	Joback Calculated Property
Cp,gas	829.86	J/mol×K	814.99	Joback Calculated Property
Cp,gas	843.94	J/mol×K	841.88	Joback Calculated Property
Cp,liquid	649.60	J/mol×K	333.15	NIST
η	[0.0000343; 0.0067109]	Pa×s	[342.17; 680.54]
η	0.0067109	Pa×s	342.17	Joback Calculated Property
η	0.0014953	Pa×s	398.56	Joback Calculated Property
η	0.0004834	Pa×s	454.96	Joback Calculated Property
η	0.0002005	Pa×s	511.36	Joback Calculated Property
η	0.0000990	Pa×s	567.75	Joback Calculated Property
η	0.0000556	Pa×s	624.14	Joback Calculated Property
η	0.0000343	Pa×s	680.54	Joback Calculated Property
ΔfusH	[37.00; 63.06]	kJ/mol	[326.60; 327.30]
ΔfusH	37.00	kJ/mol	326.60	NIST
ΔfusH	37.00	kJ/mol	326.60	NIST
ΔfusH	63.06	kJ/mol	327.30	NIST
ΔvapH	[60.67; 78.30]	kJ/mol	[540.00; 597.00]
ΔvapH	78.30	kJ/mol	540.00	NIST
ΔvapH	75.90	kJ/mol	548.00	NIST
ΔvapH	60.67	kJ/mol	597.00	KDB
ρl	848.00	kg/m3	327.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[467.92; 634.46]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61609e+01
Coefficient B			-5.70883e+03
Coefficient C			-1.08270e+02
Temperature range, min.			467.92
Temperature range, max.			634.46
Pvap	1.33	kPa	467.92	Calculated Property
Pvap	2.90	kPa	486.42	Calculated Property
Pvap	5.86	kPa	504.93	Calculated Property
Pvap	11.13	kPa	523.43	Calculated Property
Pvap	20.02	kPa	541.94	Calculated Property
Pvap	34.31	kPa	560.44	Calculated Property
Pvap	56.37	kPa	578.95	Calculated Property
Pvap	89.18	kPa	597.45	Calculated Property
Pvap	136.46	kPa	615.96	Calculated Property
Pvap	202.66	kPa	634.46	Calculated Property
Pvap	[3.43e-05; 1457.44]	kPa	[327.05; 770.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.32218e+02
Coefficient B			-2.23722e+04
Coefficient C			-3.02228e+01
Coefficient D			8.42167e-06
Temperature range, min.			327.05
Temperature range, max.			770.00
Pvap	3.43e-05	kPa	327.05	Calculated Property
Pvap	5.10e-03	kPa	376.27	Calculated Property
Pvap	0.17	kPa	425.48	Calculated Property
Pvap	2.08	kPa	474.70	Calculated Property
Pvap	13.37	kPa	523.92	Calculated Property
Pvap	54.68	kPa	573.13	Calculated Property
Pvap	163.05	kPa	622.35	Calculated Property
Pvap	389.38	kPa	671.57	Calculated Property
Pvap	795.42	kPa	720.78	Calculated Property
Pvap	1457.44	kPa	770.00	Calculated Property

Similar Compounds

Find more compounds similar to n-Heptadecanol-1.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Heat capacities and derived thermodynamic functions of 1-dodecanol and 1-tridecanol between 10 K and 370 K and heat capacities of 1-pentadecanol and 1-heptadecanol between 300 K and 380 K and correlationos for the heat capacity and the entropy of liquid n-alcohols
• Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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