Chemical Properties of 2-PENTADECANOL (CAS 1653-34-5)

InChI

InChI=1S/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3

InChI Key

ALVGHPMGQNBJRC-UHFFFAOYSA-N

Formula

C15H32O

SMILES

CCCCCCCCCCCCCC(C)O

Molecular Weight¹

228.42

CAS

1653-34-5

Other Names

• Pentadecan-2-ol
• sec-Pentadecyl alcohol

• 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.
• I_p : 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	0.8941		Relay (1.0) Calculated Property
ΔfG°	-63.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.17	kJ/mol	Joback Calculated Property
ΔvapH°	103.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	5.068		Crippen Calculated Property
McVol	228.080	ml/mol	McGowan Calculated Property
Pc	1528.27	kPa	Joback Calculated Property
Inp	[1690.00; 1714.00]
Inp	1710.00		NIST
Inp	1690.00		NIST
Inp	1714.00		NIST
Inp	1690.00		NIST
Ip	[2092.00; 2128.00]
Ip	2118.00		NIST
Ip	2092.00		NIST
Ip	2097.00		NIST
Ip	2128.00		NIST
Ip	2118.00		NIST
Tboil	564.66	K	Relay (1.0) Calculated Property
Tc	734.22	K	Relay (1.0) Calculated Property
Tfus	308.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.904	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.88; 812.40]	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			-7.13800e+00
Coefficient B			1.46874e+00
Coefficient C			-8.25800e-04
Coefficient D			1.76600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.88	J/mol×K	273.00	Calculated Property
Cp,gas	416.93	J/mol×K	353.78	Calculated Property
Cp,gas	489.66	J/mol×K	434.56	Calculated Property
Cp,gas	554.62	J/mol×K	515.33	Calculated Property
Cp,gas	612.36	J/mol×K	596.11	Calculated Property
Cp,gas	663.44	J/mol×K	676.89	Calculated Property
Cp,gas	708.43	J/mol×K	757.67	Calculated Property
Cp,gas	747.88	J/mol×K	838.44	Calculated Property
Cp,gas	782.35	J/mol×K	919.22	Calculated Property
Cp,gas	812.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0154090; 0.0000996]	Pa×s	[308.15; 556.59]	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			-1.54668e+01
Coefficient B			3.48025e+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.			308.15
Temperature range, max.			556.59
η	0.0154090	Pa×s	308.15	Calculated Property
η	0.0060886	Pa×s	335.75	Calculated Property
η	0.0027703	Pa×s	363.36	Calculated Property
η	0.0014087	Pa×s	390.96	Calculated Property
η	0.0007832	Pa×s	418.57	Calculated Property
η	0.0004682	Pa×s	446.17	Calculated Property
η	0.0002972	Pa×s	473.78	Calculated Property
η	0.0001984	Pa×s	501.38	Calculated Property
η	0.0001381	Pa×s	528.98	Calculated Property
η	0.0000996	Pa×s	556.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[437.52; 605.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54497e+01
Coefficient B			-5.15231e+03
Coefficient C			-9.77060e+01
Temperature range, min.			437.52
Temperature range, max.			605.91
Pvap	1.33	kPa	437.52	Calculated Property
Pvap	2.94	kPa	456.23	Calculated Property
Pvap	6.00	kPa	474.94	Calculated Property
Pvap	11.44	kPa	493.65	Calculated Property
Pvap	20.58	kPa	512.36	Calculated Property
Pvap	35.19	kPa	531.07	Calculated Property
Pvap	57.55	kPa	549.78	Calculated Property
Pvap	90.53	kPa	568.49	Calculated Property
Pvap	137.54	kPa	587.20	Calculated Property
Pvap	202.65	kPa	605.91	Calculated Property

Similar Compounds

Find more compounds similar to 2-PENTADECANOL.

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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