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
• Tridecan-1-ol
• n-Tridecanol
• n-Tridecyl alcohol
• tridecanol
• tridecyl alcohol

• 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).
• μ : Dipole Moment (debye).
• 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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• 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	[0.7120; 0.9890]
ω	0.7120		ChemSep v8.3 pure component data
ω	0.9890		KDB
ΔcH°solid	-8517.80 ± 0.90	kJ/mol	NIST
μ	1.65	debye	ChemSep v8.3 pure component data
ΔfG°	-75.20	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	-456.60	kJ/mol	ChemSep v8.3 pure component data
ΔfH°solid	-599.50 ± 0.90	kJ/mol	NIST
ΔfusH°	[1.50; 94.70]	kJ/mol
ΔfusH°	1.50	kJ/mol	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
ΔfusH°	94.70	kJ/mol	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
ΔvapH°	[94.70; 95.80]	kJ/mol
ΔvapH°	94.70 ± 0.40	kJ/mol	NIST
ΔvapH°	95.80	kJ/mol	NIST
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.290		Crippen Calculated Property
McVol	199.900	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	[1810.00; 1935.00]	kPa
Pc	1810.00	kPa	ChemSep v8.3 pure component data
Pc	1935.00	kPa	KDB
Ptriple	1.02e-04	kPa	ChemSep v8.3 pure component data
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	Outlier 266.83		NIST
Inp	1575.00		NIST
Inp	1580.00		NIST
Inp	1547.00		NIST
I	[2033.00; 2093.00]
I	2034.00		NIST
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
Tboil	[547.15; 547.20]	K
Tboil	547.15	K	ChemSep v8.3 pure component data
Tboil	547.20	K	KDB
Tc	[732.40; 734.00]	K
Tc	732.40	K	ChemSep v8.3 pure component data
Tc	734.00	K	KDB
Tfus	[301.70; 305.60]	K
Tfus	303.15	K	ChemSep v8.3 pure component data
Tfus	305.60	K	KDB
Tfus	303.05 ± 0.50	K	NIST
Tfus	Outlier 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
Tfus	304.89 ± 0.05	K	NIST
Tfus	304.63 ± 0.04	K	NIST
Tfus	303.50 ± 0.05	K	NIST
Ttriple	303.75	K	ChemSep v8.3 pure component data
UQi	8.53		ChemSep v8.3 pure component data
URi	9.99		ChemSep v8.3 pure component data
Vc	[0.782; 0.860]	m3/kmol
Vc	0.860	m3/kmol	ChemSep v8.3 pure component data
Vc	0.782	m3/kmol	KDB
Zc	[0.2481030; 0.2560000]
Zc	0.2560000		ChemSep v8.3 pure component data
Zc	0.2481030		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
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
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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	428.70	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.33; 790.76]	J/mol×K	[298.15; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))² Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.17800e+02
Coefficient B			6.80800e+02
Coefficient C			1.57020e+03
Coefficient D			5.07500e+02
Coefficient E			7.24400e+02
Comment			ChemSep eq 107, IdealGasHeatCapacityCp
Temperature range, min.			298.15
Temperature range, max.			1500.00
Cp,gas	311.33	J/mol×K	298.15	Calculated Property
Cp,gas	428.92	J/mol×K	431.69	Calculated Property
Cp,gas	521.12	J/mol×K	565.23	Calculated Property
Cp,gas	591.43	J/mol×K	698.77	Calculated Property
Cp,gas	646.35	J/mol×K	832.31	Calculated Property
Cp,gas	689.68	J/mol×K	965.84	Calculated Property
Cp,gas	723.98	J/mol×K	1099.38	Calculated Property
Cp,gas	751.27	J/mol×K	1232.92	Calculated Property
Cp,gas	773.12	J/mol×K	1366.46	Calculated Property
Cp,gas	790.76	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[470.72; 629.50]	J/mol×K	[303.75; 553.40]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			-1.45130e+03
Coefficient B			1.20780e+01
Coefficient C			-2.36770e-02
Coefficient D			1.56240e-05
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidHeatCapacityCp
Temperature range, min.			303.75
Temperature range, max.			553.40
Cp,liquid	470.72	J/mol×K	303.75	Calculated Property
Cp,liquid	519.79	J/mol×K	331.49	Calculated Property
Cp,liquid	556.34	J/mol×K	359.23	Calculated Property
Cp,liquid	582.36	J/mol×K	386.97	Calculated Property
Cp,liquid	599.85	J/mol×K	414.71	Calculated Property
Cp,liquid	610.82	J/mol×K	442.44	Calculated Property
Cp,liquid	617.27	J/mol×K	470.18	Calculated Property
Cp,liquid	621.20	J/mol×K	497.92	Calculated Property
Cp,liquid	624.61	J/mol×K	525.66	Calculated Property
Cp,liquid	629.50	J/mol×K	553.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0177195; 0.0002478]	Pa×s	[303.75; 553.60]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-6.42250e+01
Coefficient B			5.78230e+03
Coefficient C			7.19980e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			303.75
Temperature range, max.			553.60
η	0.0177195	Pa×s	303.75	Calculated Property
η	0.0067545	Pa×s	331.51	Calculated Property
η	0.0031313	Pa×s	359.27	Calculated Property
η	0.0016869	Pa×s	387.03	Calculated Property
η	0.0010220	Pa×s	414.79	Calculated Property
η	0.0006796	Pa×s	442.56	Calculated Property
η	0.0004870	Pa×s	470.32	Calculated Property
η	0.0003709	Pa×s	498.08	Calculated Property
η	0.0002969	Pa×s	525.84	Calculated Property
η	0.0002478	Pa×s	553.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[93.46; 0.00]	kJ/mol	[303.75; 732.40]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			9.56040e+01
Coefficient B			-1.28180e+00
Coefficient C			4.32780e+00
Coefficient D			-2.73730e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.32400e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			303.75
Temperature range, max.			732.40
ΔvapH	93.46	kJ/mol	303.75	Calculated Property
ΔvapH	85.86	kJ/mol	351.38	Calculated Property
ΔvapH	77.70	kJ/mol	399.01	Calculated Property
ΔvapH	69.46	kJ/mol	446.63	Calculated Property
ΔvapH	61.53	kJ/mol	494.26	Calculated Property
ΔvapH	54.18	kJ/mol	541.89	Calculated Property
ΔvapH	47.48	kJ/mol	589.52	Calculated Property
ΔvapH	41.30	kJ/mol	637.14	Calculated Property
ΔvapH	34.62	kJ/mol	684.77	Calculated Property
ΔvapH	0.00	kJ/mol	732.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[429.88; 566.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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	[1.03e-04; 1816.73]	kPa	[303.75; 732.40]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.70802e+02
Coefficient B			-1.77360e+04
Coefficient C			-2.12730e+01
Coefficient D			8.05010e-18
Coefficient E			6.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			303.75
Temperature range, max.			732.40
Pvap	1.03e-04	kPa	303.75	Calculated Property
Pvap	0.01	kPa	351.38	Calculated Property
Pvap	0.36	kPa	399.01	Calculated Property
Pvap	3.87	kPa	446.63	Calculated Property
Pvap	21.71	kPa	494.26	Calculated Property
Pvap	78.36	kPa	541.89	Calculated Property
Pvap	210.10	kPa	589.52	Calculated Property
Pvap	466.11	kPa	637.14	Calculated Property
Pvap	933.00	kPa	684.77	Calculated Property
Pvap	1816.73	kPa	732.40	Calculated Property
Pvap	[1.27e-04; 1887.26]	kPa	[303.75; 731.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.67240e+02
Coefficient B			-2.16241e+04
Coefficient C			-3.61080e+01
Coefficient D			1.49630e-05
Coefficient E			0.00000e+00
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

Property	Value	Unit	Temperature (K)	Source
ρl	[828.67; 232.98]	kg/m3	[303.75; 732.40]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			5.37348e+01
Coefficient B			2.30640e-01
Coefficient C			7.32400e+02
Coefficient D			2.70730e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			303.75
Temperature range, max.			732.40
ρl	828.67	kg/m3	303.75	Calculated Property
ρl	796.32	kg/m3	351.38	Calculated Property
ρl	762.32	kg/m3	399.01	Calculated Property
ρl	726.26	kg/m3	446.63	Calculated Property
ρl	687.56	kg/m3	494.26	Calculated Property
ρl	645.30	kg/m3	541.89	Calculated Property
ρl	597.87	kg/m3	589.52	Calculated Property
ρl	542.07	kg/m3	637.14	Calculated Property
ρl	469.15	kg/m3	684.77	Calculated Property
ρl	232.98	kg/m3	732.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.00]	N/m	[303.75; 732.40]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			5.97910e-02
Coefficient B			1.26460e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.32400e+02
Comment			ChemSep eq 106, SurfaceTension
Temperature range, min.			303.75
Temperature range, max.			732.40
γ	0.03	N/m	303.75	Calculated Property
γ	0.03	N/m	351.38	Calculated Property
γ	0.02	N/m	399.01	Calculated Property
γ	0.02	N/m	446.63	Calculated Property
γ	0.01	N/m	494.26	Calculated Property
γ	0.01	N/m	541.89	Calculated Property
γ	0.01	N/m	589.52	Calculated Property
γ	0.00	N/m	637.14	Calculated Property
γ	0.00	N/m	684.77	Calculated Property
γ	0.00	N/m	732.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.03; 0.08]	W/m×K	[553.60; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			3.43790e+03
Coefficient B			9.58840e-01
Coefficient C			3.08680e+10
Coefficient D			0.00000e+00
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			553.60
Temperature range, max.			1000.00
λ	0.03	W/m×K	553.60	Calculated Property
λ	0.03	W/m×K	603.20	Calculated Property
λ	0.04	W/m×K	652.80	Calculated Property
λ	0.04	W/m×K	702.40	Calculated Property
λ	0.05	W/m×K	752.00	Calculated Property
λ	0.05	W/m×K	801.60	Calculated Property
λ	0.06	W/m×K	851.20	Calculated Property
λ	0.07	W/m×K	900.80	Calculated Property
λ	0.08	W/m×K	950.40	Calculated Property
λ	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.15; 0.08]	W/m×K	[303.75; 587.20]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λ in W/m×K, T in K
Coefficient A			2.22000e-01
Coefficient B			-2.50000e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidThermalConductivity
Temperature range, min.			303.75
Temperature range, max.			587.20
λ	0.15	W/m×K	303.75	Calculated Property
λ	0.14	W/m×K	335.24	Calculated Property
λ	0.13	W/m×K	366.74	Calculated Property
λ	0.12	W/m×K	398.23	Calculated Property
λ	0.11	W/m×K	429.73	Calculated Property
λ	0.11	W/m×K	461.22	Calculated Property
λ	0.10	W/m×K	492.72	Calculated Property
λ	0.09	W/m×K	524.21	Calculated Property
λ	0.08	W/m×K	555.71	Calculated Property
λ	0.08	W/m×K	587.20	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• 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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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