Chemical Properties of n-Tridecan-1-ol (CAS 112-70-9)

InChI

InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

InChI Key

XFRVVPUIAFSTFO-UHFFFAOYSA-N

Formula

C13H28O

SMILES

CCCCCCCCCCCCCO

Molecular Weight¹

200.36

CAS

112-70-9

Other Names

• 1-HYDROXYTRIDECANE
• 1-Tridecanol
• N-TRIDECYL ALCOHOL
• TRIDECANOL
• Tridecan-1-ol
• Tridecyl alcohol
• n-Tridecanol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9890		KDB
ΔcH°solid	-8517.80 ± 0.90	kJ/mol	NIST
ΔfG°	-78.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-463.88	kJ/mol	Joback Calculated Property
ΔfH°solid	-599.50 ± 0.90	kJ/mol	NIST
ΔfusH°	[1.50; 94.70]	kJ/mol
ΔfusH°	1.50	kJ/mol	Heat ca...
ΔfusH°	94.70	kJ/mol	Evaluat...
ΔvapH°	[94.70; 95.80]	kJ/mol
ΔvapH°	94.70 ± 0.40	kJ/mol	NIST
ΔvapH°	95.80	kJ/mol	NIST
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	4.290		Crippen Calculated Property
McVol	199.900	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	1935.00	kPa	KDB
Inp	[220.20; 1599.00]
Inp	1563.60		NIST
Inp	1585.50		NIST
Inp	1577.00		NIST
Inp	1565.00		NIST
Inp	1560.00		NIST
Inp	1563.00		NIST
Inp	1575.00		NIST
Inp	1572.00		NIST
Inp	1585.30		NIST
Inp	1580.00		NIST
Inp	1580.00		NIST
Inp	1556.00		NIST
Inp	1585.00		NIST
Inp	1593.00		NIST
Inp	1547.00		NIST
Inp	1577.00		NIST
Inp	1577.00		NIST
Inp	1569.00		NIST
Inp	1577.00		NIST
Inp	1586.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
Inp	1577.00		NIST
Inp	1572.00		NIST
Inp	1580.00		NIST
Inp	1577.00		NIST
Inp	1565.00		NIST
Inp	1599.00		NIST
Inp	Outlier 266.83		NIST
Inp	Outlier 268.36		NIST
Inp	Outlier 220.20		NIST
Inp	1575.00		NIST
Inp	Outlier 266.83		NIST
Inp	1580.00		NIST
Inp	1547.00		NIST
I	[2033.00; 2093.00]
I	2033.00		NIST
I	2074.00		NIST
I	2076.00		NIST
I	2034.00		NIST
I	2093.00		NIST
I	2041.00		NIST
I	2041.00		NIST
I	2077.00		NIST
I	2063.00		NIST
I	2078.00		NIST
I	2077.00		NIST
I	2077.00		NIST
I	2034.00		NIST
Tboil	547.20	K	KDB
Tc	734.00	K	KDB
Tfus	[301.70; 305.60]	K
Tfus	305.60	K	KDB
Tfus	303.05 ± 0.50	K	NIST
Tfus	301.70 ± 1.00	K	NIST
Tfus	304.89 ± 0.05	K	NIST
Tfus	304.63 ± 0.04	K	NIST
Tfus	303.50 ± 0.05	K	NIST
Vc	0.782	m3/kmol	KDB
Zc	0.2481030		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.76; 612.65]	J/mol×K	[589.02; 746.78]
Cp,gas	529.76	J/mol×K	589.02	Joback Calculated Property
Cp,gas	545.01	J/mol×K	615.31	Joback Calculated Property
Cp,gas	559.66	J/mol×K	641.61	Joback Calculated Property
Cp,gas	573.73	J/mol×K	667.90	Joback Calculated Property
Cp,gas	587.24	J/mol×K	694.19	Joback Calculated Property
Cp,gas	600.21	J/mol×K	720.48	Joback Calculated Property
Cp,gas	612.65	J/mol×K	746.78	Joback Calculated Property
Cp,liquid	[476.00; 487.50]	J/mol×K	[305.00; 313.15]
Cp,liquid	476.00	J/mol×K	305.00	NIST
Cp,liquid	487.50	J/mol×K	313.15	NIST
Cp,solid	378.00	J/mol×K	298.15	NIST
η	[0.0000718; 0.0163656]	Pa×s	[297.09; 589.02]
η	0.0163656	Pa×s	297.09	Joback Calculated Property
η	0.0035036	Pa×s	345.75	Joback Calculated Property
η	0.0010971	Pa×s	394.40	Joback Calculated Property
η	0.0004434	Pa×s	443.06	Joback Calculated Property
η	0.0002143	Pa×s	491.71	Joback Calculated Property
η	0.0001181	Pa×s	540.37	Joback Calculated Property
η	0.0000718	Pa×s	589.02	Joback Calculated Property
ΔfusH	[18.74; 44.78]	kJ/mol	[304.70; 306.60]
ΔfusH	44.78	kJ/mol	304.70	NIST
ΔfusH	18.74	kJ/mol	306.60	NIST
ΔvapH	[69.20; 91.10]	kJ/mol	[327.50; 499.50]
ΔvapH	91.10	kJ/mol	327.50	NIST
ΔvapH	87.40	kJ/mol	343.00	NIST
ΔvapH	69.20	kJ/mol	499.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[429.88; 566.36]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.76371e+01
Coefficient B			-5.80912e+03
Coefficient C			-9.50510e+01
Temperature range, min.			429.88
Temperature range, max.			566.36
Pvap	1.33	kPa	429.88	Calculated Property
Pvap	2.83	kPa	445.04	Calculated Property
Pvap	5.63	kPa	460.21	Calculated Property
Pvap	10.62	kPa	475.37	Calculated Property
Pvap	19.08	kPa	490.54	Calculated Property
Pvap	32.82	kPa	505.70	Calculated Property
Pvap	54.31	kPa	520.87	Calculated Property
Pvap	86.82	kPa	536.03	Calculated Property
Pvap	134.54	kPa	551.20	Calculated Property
Pvap	202.67	kPa	566.36	Calculated Property
Pvap	[1.27e-04; 1887.26]	kPa	[303.75; 731.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.67240e+02
Coefficient B			-2.16241e+04
Coefficient C			-3.61080e+01
Coefficient D			1.49630e-05
Temperature range, min.			303.75
Temperature range, max.			731.00
Pvap	1.27e-04	kPa	303.75	Calculated Property
Pvap	0.02	kPa	351.22	Calculated Property
Pvap	0.43	kPa	398.69	Calculated Property
Pvap	4.34	kPa	446.17	Calculated Property
Pvap	23.24	kPa	493.64	Calculated Property
Pvap	82.14	kPa	541.11	Calculated Property
Pvap	220.87	kPa	588.58	Calculated Property
Pvap	497.07	kPa	636.06	Calculated Property
Pvap	1000.37	kPa	683.53	Calculated Property
Pvap	1887.26	kPa	731.00	Calculated Property

Similar Compounds

Find more compounds similar to n-Tridecan-1-ol.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Heat capacities and derived thermodynamic functions of 1-dodecanol and 1-tridecanol between 10 K and 370 K and heat capacities of 1-pentadecanol and 1-heptadecanol between 300 K and 380 K and correlationos for the heat capacity and the entropy of liquid n-alcohols
• Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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