Chemical Properties of 9-Heptadecanol (CAS 624-08-8)

InChI

InChI=1S/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

InChI Key

WTWWTKPAEZQYPW-UHFFFAOYSA-N

Formula

C17H36O

SMILES

CCCCCCCCC(O)CCCCCCCC

Molecular Weight¹

256.47

CAS

624-08-8

• 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).
• 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).
• 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
ω	0.9451		Relay (1.0) Calculated Property
ΔfG°	-47.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-568.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.35	kJ/mol	Joback Calculated Property
ΔvapH°	108.50 ± 0.40	kJ/mol	NIST
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	5.848		Crippen Calculated Property
McVol	256.260	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
Tboil	582.81	K	Relay (1.0) Calculated Property
Tc	754.71	K	Relay (1.0) Calculated Property
Tfus	[330.20; 334.15]	K
Tfus	330.20	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	334.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	1.010	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.30; 915.58]	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			-8.95600e+00
Coefficient B			1.65874e+00
Coefficient C			-9.34600e-04
Coefficient D			2.00400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.30	J/mol×K	273.00	Calculated Property
Cp,gas	469.77	J/mol×K	353.78	Calculated Property
Cp,gas	551.82	J/mol×K	434.56	Calculated Property
Cp,gas	625.07	J/mol×K	515.33	Calculated Property
Cp,gas	690.18	J/mol×K	596.11	Calculated Property
Cp,gas	747.76	J/mol×K	676.89	Calculated Property
Cp,gas	798.46	J/mol×K	757.67	Calculated Property
Cp,gas	842.91	J/mol×K	838.44	Calculated Property
Cp,gas	881.74	J/mol×K	919.22	Calculated Property
Cp,gas	915.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090510; 0.0000725]	Pa×s	[332.17; 590.12]	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			-1.57490e+01
Coefficient B			3.66857e+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.			332.17
Temperature range, max.			590.12
η	0.0090510	Pa×s	332.17	Calculated Property
η	0.0037646	Pa×s	360.84	Calculated Property
η	0.0017816	Pa×s	389.50	Calculated Property
η	0.0009342	Pa×s	418.16	Calculated Property
η	0.0005322	Pa×s	446.82	Calculated Property
η	0.0003244	Pa×s	475.48	Calculated Property
η	0.0002092	Pa×s	504.14	Calculated Property
η	0.0001415	Pa×s	532.80	Calculated Property
η	0.0000995	Pa×s	561.46	Calculated Property
η	0.0000725	Pa×s	590.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[466.32; 634.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59925e+01
Coefficient B			-5.63188e+03
Coefficient C			-1.07714e+02
Temperature range, min.			466.32
Temperature range, max.			634.99
Pvap	1.33	kPa	466.32	Calculated Property
Pvap	2.91	kPa	485.06	Calculated Property
Pvap	5.89	kPa	503.80	Calculated Property
Pvap	11.20	kPa	522.54	Calculated Property
Pvap	20.15	kPa	541.28	Calculated Property
Pvap	34.51	kPa	560.03	Calculated Property
Pvap	56.63	kPa	578.77	Calculated Property
Pvap	89.48	kPa	597.51	Calculated Property
Pvap	136.70	kPa	616.25	Calculated Property
Pvap	202.64	kPa	634.99	Calculated Property

Similar Compounds

Find more compounds similar to 9-Heptadecanol.

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).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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