Chemical Properties of 2-Heptadecanol (CAS 16813-18-6)

InChI

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

InChI Key

ZNYQHFLBAPNPRC-UHFFFAOYSA-N

Formula

C17H36O

SMILES

CCCCCCCCCCCCCCCC(C)O

Molecular Weight¹

256.47

CAS

16813-18-6

• 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).
• I_np : Non-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
ω	0.9643		Relay (1.0) Calculated Property
ΔfG°	-47.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-582.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.35	kJ/mol	Joback Calculated Property
ΔvapH°	112.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-6.28		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
Inp	[1909.00; 1909.00]
Inp	1909.00		NIST
Inp	1909.00		NIST
Tboil	581.25	K	Relay (1.0) Calculated Property
Tc	754.77	K	Relay (1.0) Calculated Property
Tfus	327.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	1.018	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	[0.0107242; 0.0000725]	Pa×s	[327.15; 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.			327.15
Temperature range, max.			590.12
η	0.0107242	Pa×s	327.15	Calculated Property
η	0.0042762	Pa×s	356.37	Calculated Property
η	0.0019601	Pa×s	385.59	Calculated Property
η	0.0010028	Pa×s	414.81	Calculated Property
η	0.0005604	Pa×s	444.03	Calculated Property
η	0.0003365	Pa×s	473.25	Calculated Property
η	0.0002144	Pa×s	502.47	Calculated Property
η	0.0001435	Pa×s	531.69	Calculated Property
η	0.0001002	Pa×s	560.90	Calculated Property
η	0.0000725	Pa×s	590.12	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

Similar Compounds

Find more compounds similar to 2-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
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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