Chemical Properties of 2-Tridecanol (CAS 1653-31-2)

InChI

InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3

InChI Key

HKOLRKVMHVYNGG-UHFFFAOYSA-N

Formula

C13H28O

SMILES

CCCCCCCCCCCC(C)O

Molecular Weight¹

200.36

CAS

1653-31-2

Other Names

• 2-Hydroxytridecane
• Methylundecylcarbinol
• tridecan-2-ol

• 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	0.8236		Relay (1.0) Calculated Property
ΔfG°	-80.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-498.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.99	kJ/mol	Joback Calculated Property
ΔvapH°	93.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	4.288		Crippen Calculated Property
McVol	199.900	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[1490.00; 1510.00]
Inp	1510.00		NIST
Inp	1510.00		NIST
Inp	1490.00		NIST
Inp	1490.00		NIST
Inp	1510.00		NIST
Inp	1510.00		NIST
Inp	1490.00		NIST
Inp	1510.00		NIST
Ip	[1898.00; 1931.00]
Ip	1903.00		NIST
Ip	1906.00		NIST
Ip	1898.00		NIST
Ip	1899.00		NIST
Ip	1931.00		NIST
Ip	1898.00		NIST
Ip	1931.00		NIST
Tboil	538.15 ± 4.00	K	NIST
Tc	709.22	K	Relay (1.0) Calculated Property
Tfus	297.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.789	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.45; 709.22]	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			-5.32000e+00
Coefficient B			1.27874e+00
Coefficient C			-7.17000e-04
Coefficient D			1.52800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.45	J/mol×K	273.00	Calculated Property
Cp,gas	364.10	J/mol×K	353.78	Calculated Property
Cp,gas	427.51	J/mol×K	434.56	Calculated Property
Cp,gas	484.16	J/mol×K	515.33	Calculated Property
Cp,gas	534.53	J/mol×K	596.11	Calculated Property
Cp,gas	579.12	J/mol×K	676.89	Calculated Property
Cp,gas	618.40	J/mol×K	757.67	Calculated Property
Cp,gas	652.85	J/mol×K	838.44	Calculated Property
Cp,gas	682.97	J/mol×K	919.22	Calculated Property
Cp,gas	709.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0162200; 0.0001337]	Pa×s	[297.15; 524.19]	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			-1.51999e+01
Coefficient B			3.29193e+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.			297.15
Temperature range, max.			524.19
η	0.0162200	Pa×s	297.15	Calculated Property
η	0.0068164	Pa×s	322.38	Calculated Property
η	0.0032487	Pa×s	347.60	Calculated Property
η	0.0017117	Pa×s	372.83	Calculated Property
η	0.0009781	Pa×s	398.06	Calculated Property
η	0.0005975	Pa×s	423.28	Calculated Property
η	0.0003858	Pa×s	448.51	Calculated Property
η	0.0002610	Pa×s	473.74	Calculated Property
η	0.0001837	Pa×s	498.96	Calculated Property
η	0.0001337	Pa×s	524.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[419.92; 565.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.66450e+01
Coefficient B			-5.37062e+03
Coefficient C			-9.15900e+01
Temperature range, min.			419.92
Temperature range, max.			565.46
Pvap	1.33	kPa	419.92	Calculated Property
Pvap	2.87	kPa	436.09	Calculated Property
Pvap	5.78	kPa	452.26	Calculated Property
Pvap	10.95	kPa	468.43	Calculated Property
Pvap	19.68	kPa	484.60	Calculated Property
Pvap	33.78	kPa	500.78	Calculated Property
Pvap	55.63	kPa	516.95	Calculated Property
Pvap	88.34	kPa	533.12	Calculated Property
Pvap	135.78	kPa	549.29	Calculated Property
Pvap	202.64	kPa	565.46	Calculated Property

Similar Compounds

Find more compounds similar to 2-Tridecanol.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.