Chemical Properties of 2-Hexadecanol (CAS 14852-31-4)

InChI

InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3

InChI Key

FVDRFBGMOWJEOR-UHFFFAOYSA-N

Formula

C16H34O

SMILES

CCCCCCCCCCCCCCC(C)O

Molecular Weight¹

242.44

CAS

14852-31-4

Other Names

• Hexadecanol-2
• hexadecan-2-ol

• 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).
• 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.
• 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°	-55.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-531.08	kJ/mol	Joback Calculated Property
ΔfusH°	37.76	kJ/mol	Joback Calculated Property
ΔvapH°	67.50	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	5.458		Crippen Calculated Property
McVol	242.170	ml/mol	McGowan Calculated Property
Pc	1419.71	kPa	Joback Calculated Property
Inp	[1702.00; 1702.00]
Inp	1702.00		NIST
Inp	1702.00		NIST
I	[2295.00; 2312.00]
I	2295.00		NIST
I	2312.00		NIST
I	2295.00		NIST
I	2312.00		NIST
Tboil	657.22	K	Joback Calculated Property
Tc	818.60	K	Joback Calculated Property
Tfus	315.90	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[692.99; 785.60]	J/mol×K	[657.22; 818.60]
Cp,gas	692.99	J/mol×K	657.22	Joback Calculated Property
Cp,gas	710.14	J/mol×K	684.12	Joback Calculated Property
Cp,gas	726.57	J/mol×K	711.01	Joback Calculated Property
Cp,gas	742.31	J/mol×K	737.91	Joback Calculated Property
Cp,gas	757.38	J/mol×K	764.81	Joback Calculated Property
Cp,gas	771.81	J/mol×K	791.70	Joback Calculated Property
Cp,gas	785.60	J/mol×K	818.60	Joback Calculated Property
η	[0.0000384; 0.0136883]	Pa×s	[315.90; 657.22]
η	0.0136883	Pa×s	315.90	Joback Calculated Property
η	0.0024349	Pa×s	372.79	Joback Calculated Property
η	0.0006842	Pa×s	429.67	Joback Calculated Property
η	0.0002587	Pa×s	486.56	Joback Calculated Property
η	0.0001199	Pa×s	543.45	Joback Calculated Property
η	0.0000643	Pa×s	600.33	Joback Calculated Property
η	0.0000384	Pa×s	657.22	Joback Calculated Property
ΔvapH	102.20	kJ/mol	393.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[456.72; 619.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62043e+01
Coefficient B			-5.60812e+03
Coefficient C			-1.04378e+02
Temperature range, min.			456.72
Temperature range, max.			619.22
Pvap	1.33	kPa	456.72	Calculated Property
Pvap	2.90	kPa	474.78	Calculated Property
Pvap	5.85	kPa	492.83	Calculated Property
Pvap	11.12	kPa	510.89	Calculated Property
Pvap	19.99	kPa	528.94	Calculated Property
Pvap	34.26	kPa	547.00	Calculated Property
Pvap	56.29	kPa	565.05	Calculated Property
Pvap	89.10	kPa	583.11	Calculated Property
Pvap	136.39	kPa	601.16	Calculated Property
Pvap	202.63	kPa	619.22	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexadecanol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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