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-Hydroxyheptadecane
• 1-heptadecanol
• Heptadecan-1-ol
• N-HEPTADECYL ALCOHOL
• heptadecanol
• heptadecyl alcohol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8123		ChemSep v8.3 pure component data
μ	1.65	debye	ChemSep v8.3 pure component data
ΔfG°	[-44.67; -41.22]	kJ/mol
ΔfG°	-41.22	kJ/mol	ChemSep v8.3 pure component data
ΔfG°	-44.67	kJ/mol	KDB
ΔfH°gas	[-546.30; -542.30]	kJ/mol
ΔfH°gas	-542.30	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	-546.30	kJ/mol	KDB
ΔfusH°	39.40	kJ/mol	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
ΔvapH°	112.50 ± 0.50	kJ/mol	NIST
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-6.71		Relay (1.0) Calculated Property
logPoct/wat	5.850		Crippen Calculated Property
McVol	256.260	ml/mol	McGowan Calculated Property
Pc	[1377.00; 1500.00]	kPa
Pc	1377.00	kPa	ChemSep v8.3 pure component data
Pc	1500.00	kPa	KDB
Ptriple	4.72e-05	kPa	ChemSep v8.3 pure component data
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; 611.30]	K
Tboil	611.30	K	ChemSep v8.3 pure component data
Tboil	606.00	K	KDB
Tboil	581.20	K	NIST
Tc	[779.20; 780.00]	K
Tc	779.20	K	ChemSep v8.3 pure component data
Tc	780.00	K	KDB
Tfus	[325.30; 327.15]	K
Tfus	325.30	K	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
Tfus	327.05	K	ChemSep v8.3 pure component data
Tfus	326.90	K	KDB
Tfus	327.15 ± 0.40	K	NIST
Ttriple	327.05	K	ChemSep v8.3 pure component data
UQi	10.69		ChemSep v8.3 pure component data
URi	12.69		ChemSep v8.3 pure component data
Vc	1.160	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2470000		ChemSep v8.3 pure component data

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	649.60	J/mol×K	333.15	NIST
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
Cp,gas	[401.94; 1015.03]	J/mol×K	[298.15; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))² Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.81000e+02
Coefficient B			8.67000e+02
Coefficient C			1.55620e+03
Coefficient D			6.51800e+02
Coefficient E			7.23000e+02
Comment			ChemSep eq 107, IdealGasHeatCapacityCp
Temperature range, min.			298.15
Temperature range, max.			1500.00
Cp,gas	401.94	J/mol×K	298.15	Calculated Property
Cp,gas	553.93	J/mol×K	431.69	Calculated Property
Cp,gas	673.18	J/mol×K	565.23	Calculated Property
Cp,gas	763.62	J/mol×K	698.77	Calculated Property
Cp,gas	833.70	J/mol×K	832.31	Calculated Property
Cp,gas	888.54	J/mol×K	965.84	Calculated Property
Cp,gas	931.69	J/mol×K	1099.38	Calculated Property
Cp,gas	965.85	J/mol×K	1232.92	Calculated Property
Cp,gas	993.09	J/mol×K	1366.46	Calculated Property
Cp,gas	1015.03	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[640.46; 853.17]	J/mol×K	[327.05; 611.70]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			-2.58040e+03
Coefficient B			2.06950e+01
Coefficient C			-4.29430e-02
Coefficient D			2.98960e-05
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidHeatCapacityCp
Temperature range, min.			327.05
Temperature range, max.			611.70
Cp,liquid	640.46	J/mol×K	327.05	Calculated Property
Cp,liquid	697.35	J/mol×K	358.68	Calculated Property
Cp,liquid	732.68	J/mol×K	390.31	Calculated Property
Cp,liquid	752.13	J/mol×K	421.93	Calculated Property
Cp,liquid	761.38	J/mol×K	453.56	Calculated Property
Cp,liquid	766.09	J/mol×K	485.19	Calculated Property
Cp,liquid	771.96	J/mol×K	516.82	Calculated Property
Cp,liquid	784.64	J/mol×K	548.44	Calculated Property
Cp,liquid	809.82	J/mol×K	580.07	Calculated Property
Cp,liquid	853.17	J/mol×K	611.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0111294; 0.0001282]	Pa×s	[326.60; 545.72]	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			-1.56150e+01
Coefficient B			3.63075e+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.			326.60
Temperature range, max.			545.72
η	0.0111294	Pa×s	326.60	Calculated Property
η	0.0051468	Pa×s	350.95	Calculated Property
η	0.0026306	Pa×s	375.29	Calculated Property
η	0.0014591	Pa×s	399.64	Calculated Property
η	0.0008660	Pa×s	423.99	Calculated Property
η	0.0005440	Pa×s	448.33	Calculated Property
η	0.0003584	Pa×s	472.68	Calculated Property
η	0.0002460	Pa×s	497.03	Calculated Property
η	0.0001749	Pa×s	521.37	Calculated Property
η	0.0001282	Pa×s	545.72	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[102.61; 0.00]	kJ/mol	[327.05; 779.20]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.15790e+02
Coefficient B			-6.97400e-01
Coefficient C			3.02790e+00
Coefficient D			-1.99520e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.79200e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			327.05
Temperature range, max.			779.20
ΔvapH	102.61	kJ/mol	327.05	Calculated Property
ΔvapH	94.87	kJ/mol	377.29	Calculated Property
ΔvapH	86.73	kJ/mol	427.53	Calculated Property
ΔvapH	78.52	kJ/mol	477.77	Calculated Property
ΔvapH	70.50	kJ/mol	528.01	Calculated Property
ΔvapH	62.85	kJ/mol	578.24	Calculated Property
ΔvapH	55.57	kJ/mol	628.48	Calculated Property
ΔvapH	48.36	kJ/mol	678.72	Calculated Property
ΔvapH	39.85	kJ/mol	728.96	Calculated Property
ΔvapH	0.00	kJ/mol	779.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[467.92; 634.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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	[4.72e-05; 1374.00]	kPa	[327.05; 779.20]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.65782e+02
Coefficient B			-1.90150e+04
Coefficient C			-2.03120e+01
Coefficient D			4.86650e-18
Coefficient E			6.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			327.05
Temperature range, max.			779.20
Pvap	4.72e-05	kPa	327.05	Calculated Property
Pvap	6.01e-03	kPa	377.29	Calculated Property
Pvap	0.18	kPa	427.53	Calculated Property
Pvap	2.08	kPa	477.77	Calculated Property
Pvap	12.64	kPa	528.01	Calculated Property
Pvap	49.20	kPa	578.24	Calculated Property
Pvap	141.21	kPa	628.48	Calculated Property
Pvap	331.48	kPa	678.72	Calculated Property
Pvap	691.17	kPa	728.96	Calculated Property
Pvap	1374.00	kPa	779.20	Calculated Property
Pvap	[3.43e-05; 1457.44]	kPa	[327.05; 770.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.32218e+02
Coefficient B			-2.23722e+04
Coefficient C			-3.02228e+01
Coefficient D			8.42167e-06
Coefficient E			0.00000e+00
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

Property	Value	Unit	Temperature (K)	Source
ρl	[819.43; 221.10]	kg/m3	[327.05; 779.20]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			4.71053e+01
Coefficient B			2.13050e-01
Coefficient C			7.79200e+02
Coefficient D			3.04620e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			327.05
Temperature range, max.			779.20
ρl	819.43	kg/m3	327.05	Calculated Property
ρl	782.46	kg/m3	377.29	Calculated Property
ρl	744.02	kg/m3	427.53	Calculated Property
ρl	703.74	kg/m3	477.77	Calculated Property
ρl	661.07	kg/m3	528.01	Calculated Property
ρl	615.16	kg/m3	578.24	Calculated Property
ρl	564.55	kg/m3	628.48	Calculated Property
ρl	506.29	kg/m3	678.72	Calculated Property
ρl	432.43	kg/m3	728.96	Calculated Property
ρl	221.10	kg/m3	779.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.00]	N/m	[327.05; 779.20]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			6.22700e-02
Coefficient B			1.39860e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.79200e+02
Comment			ChemSep eq 106, SurfaceTension
Temperature range, min.			327.05
Temperature range, max.			779.20
γ	0.03	N/m	327.05	Calculated Property
γ	0.02	N/m	377.29	Calculated Property
γ	0.02	N/m	427.53	Calculated Property
γ	0.02	N/m	477.77	Calculated Property
γ	0.01	N/m	528.01	Calculated Property
γ	0.01	N/m	578.24	Calculated Property
γ	0.01	N/m	628.48	Calculated Property
γ	0.00	N/m	678.72	Calculated Property
γ	0.00	N/m	728.96	Calculated Property
γ	0.00	N/m	779.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.03; 0.07]	W/m×K	[610.50; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			-1.14150e+00
Coefficient B			1.40480e-02
Coefficient C			-2.62570e+03
Coefficient D			-1.56780e+07
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			610.50
Temperature range, max.			1000.00
λ	0.03	W/m×K	610.50	Calculated Property
λ	0.03	W/m×K	653.78	Calculated Property
λ	0.04	W/m×K	697.06	Calculated Property
λ	0.04	W/m×K	740.33	Calculated Property
λ	0.04	W/m×K	783.61	Calculated Property
λ	0.05	W/m×K	826.89	Calculated Property
λ	0.06	W/m×K	870.17	Calculated Property
λ	0.06	W/m×K	913.44	Calculated Property
λ	0.07	W/m×K	956.72	Calculated Property
λ	0.07	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.14; 0.07]	W/m×K	[327.05; 611.30]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λ in W/m×K, T in K
Coefficient A			2.17960e-01
Coefficient B			-2.50000e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidThermalConductivity
Temperature range, min.			327.05
Temperature range, max.			611.30
λ	0.14	W/m×K	327.05	Calculated Property
λ	0.13	W/m×K	358.63	Calculated Property
λ	0.12	W/m×K	390.22	Calculated Property
λ	0.11	W/m×K	421.80	Calculated Property
λ	0.10	W/m×K	453.38	Calculated Property
λ	0.10	W/m×K	484.97	Calculated Property
λ	0.09	W/m×K	516.55	Calculated Property
λ	0.08	W/m×K	548.13	Calculated Property
λ	0.07	W/m×K	579.72	Calculated Property
λ	0.07	W/m×K	611.30	Calculated Property

Similar Compounds

Find more compounds similar to n-Heptadecanol-1.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• 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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