Chemical Properties of 3-Tridecanol (CAS 10289-68-6)

InChI

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

InChI Key

LBSIDDOMEWFXBT-UHFFFAOYSA-N

Formula

C13H28O

SMILES

CCCCCCCCCCC(O)CC

Molecular Weight¹

200.36

CAS

10289-68-6

Other Names

• tridecan-3-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	0.8092		Relay (1.0) Calculated Property
ΔfG°	-80.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.99	kJ/mol	Joback Calculated Property
ΔvapH°	92.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-4.64		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	[1599.00; 1599.00]
Inp	1599.00		NIST
Inp	1599.00		NIST
Ip	[1872.00; 1906.00]
Ip	1872.00		NIST
Ip	1879.00		NIST
Ip	1906.00		NIST
Ip	1906.00		NIST
Ip	1872.00		NIST
Tboil	532.45	K	Relay (1.0) Calculated Property
Tc	713.22	K	Relay (1.0) Calculated Property
Tfus	305.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.786	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	[0.0121315; 0.0001337]	Pa×s	[305.15; 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.			305.15
Temperature range, max.			524.19
η	0.0121315	Pa×s	305.15	Calculated Property
η	0.0054682	Pa×s	329.49	Calculated Property
η	0.0027503	Pa×s	353.83	Calculated Property
η	0.0015113	Pa×s	378.16	Calculated Property
η	0.0008928	Pa×s	402.50	Calculated Property
η	0.0005600	Pa×s	426.84	Calculated Property
η	0.0003694	Pa×s	451.18	Calculated Property
η	0.0002543	Pa×s	475.52	Calculated Property
η	0.0001815	Pa×s	499.85	Calculated Property
η	0.0001337	Pa×s	524.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[414.16; 571.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56774e+01
Coefficient B			-4.99511e+03
Coefficient C			-8.95880e+01
Temperature range, min.			414.16
Temperature range, max.			571.46
Pvap	1.33	kPa	414.16	Calculated Property
Pvap	2.93	kPa	431.64	Calculated Property
Pvap	5.95	kPa	449.12	Calculated Property
Pvap	11.34	kPa	466.59	Calculated Property
Pvap	20.39	kPa	484.07	Calculated Property
Pvap	34.89	kPa	501.55	Calculated Property
Pvap	57.15	kPa	519.03	Calculated Property
Pvap	90.07	kPa	536.50	Calculated Property
Pvap	137.17	kPa	553.98	Calculated Property
Pvap	202.63	kPa	571.46	Calculated Property

Similar Compounds

Find more compounds similar to 3-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

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