Chemical Properties of Nonacosane

InChI

InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3

InChI Key

IGGUPRCHHJZPBS-UHFFFAOYSA-N

Formula

C29H60

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

408.80

Other Names

• n-nonacosane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_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).
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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 : Gas thermal conductivity (W/m×K).
• λ_liquid : 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.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2653		ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	187.90	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-643.50	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	70.87	kJ/mol	Joback Calculated Property
ΔvapH°	147.10	kJ/mol	NIST
IE	10.20	eV	Relay (1.0) Calculated Property
log10WS	-11.12		Relay (1.0) Calculated Property
logPoct/wat	11.559		Crippen Calculated Property
McVol	419.470	ml/mol	McGowan Calculated Property
Pc	826.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	6.85e-08	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[454.90; 475.30]
Inp	454.90		NIST
Inp	475.30		NIST
Inp	454.90		NIST
Tboil	[713.95; 714.00]	K
Tboil	713.95	K	ChemSep v8.3 pure component data Compiled value
Tboil	714.00	K	NIST
Tc	838.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[334.20; 339.15]	K
Tfus	338.00	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	339.15	K	ChemSep v8.3 pure component data Compiled value
Tfus	336.60 ± 0.40	K	NIST
Tfus	336.50 ± 0.60	K	NIST
Tfus	Outlier 334.20 ± 2.00	K	NIST
Tfus	337.00 ± 2.00	K	NIST
Tfus	336.70 ± 0.80	K	NIST
Tfus	337.00 ± 2.00	K	NIST
Tfus	338.00 ± 1.00	K	NIST
Tfus	335.70 ± 3.00	K	NIST
Tfus	337.00 ± 1.00	K	NIST
Tfus	336.00 ± 4.00	K	NIST
Ttriple	336.85	K	ChemSep v8.3 pure component data Compiled value
UQi	16.28		ChemSep v8.3 pure component data Compiled value
URi	20.01		ChemSep v8.3 pure component data Compiled value
Vc	1.690	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2000000		ChemSep v8.3 pure component data Compiled value
Zra	0.22		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[29.71; 66.11]	kJ/mol	[331.40; 336.60]
ΔfusH	29.71	kJ/mol	331.40	NIST
ΔfusH	66.11	kJ/mol	336.60	NIST
ΔfusH	66.11	kJ/mol	336.60	NIST
ΔvapH	[109.00; 147.10]	kJ/mol	[298.15; 601.00]
ΔvapH	147.10	kJ/mol	298.15	Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
ΔvapH	112.50	kJ/mol	437.00	NIST
ΔvapH	137.10 ± 3.00	kJ/mol	439.50	NIST
ΔvapH	137.00 ± 3.00	kJ/mol	440.00	NIST
ΔvapH	109.00	kJ/mol	601.00	NIST
Pvap	[9.70e-04; 8.24e-03]	kPa	[422.10; 452.23]
Pvap	9.70e-04	kPa	422.10	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	9.71e-04	kPa	422.10	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	2.06e-03	kPa	432.12	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	4.21e-03	kPa	442.17	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	4.17e-03	kPa	442.19	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	8.24e-03	kPa	452.20	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	8.19e-03	kPa	452.23	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
ΔfusS	[89.65; 196.43]	J/mol×K	[331.40; 336.60]
ΔfusS	89.65	J/mol×K	331.40	NIST
ΔfusS	196.43	J/mol×K	336.60	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	559.20	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.59; 1756.62]	J/mol×K	[273.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.83900e+02
Coefficient B			-5.68270e+02
Coefficient C			7.52724e+00
Coefficient D			1.20810e-04
Coefficient E			-4.66950e-08
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	622.59	J/mol×K	273.00	Calculated Property
Cp,gas	867.18	J/mol×K	409.33	Calculated Property
Cp,gas	1074.69	J/mol×K	545.67	Calculated Property
Cp,gas	1241.96	J/mol×K	682.00	Calculated Property
Cp,gas	1376.59	J/mol×K	818.33	Calculated Property
Cp,gas	1485.77	J/mol×K	954.67	Calculated Property
Cp,gas	1574.96	J/mol×K	1091.00	Calculated Property
Cp,gas	1648.07	J/mol×K	1227.33	Calculated Property
Cp,gas	1707.93	J/mol×K	1363.67	Calculated Property
Cp,gas	1756.62	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[916.59; 1431.87]	J/mol×K	[336.85; 713.95]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			-8.97820e+01
Coefficient B			-1.99310e+02
Coefficient C			7.54024e+00
Coefficient D			-2.76810e-04
Coefficient E			5.18120e-07
Temperature range, min.			336.85
Temperature range, max.			713.95
Cp,liquid	916.59	J/mol×K	336.85	Calculated Property
Cp,liquid	988.90	J/mol×K	378.75	Calculated Property
Cp,liquid	1053.51	J/mol×K	420.65	Calculated Property
Cp,liquid	1112.73	J/mol×K	462.55	Calculated Property
Cp,liquid	1168.31	J/mol×K	504.45	Calculated Property
Cp,liquid	1221.64	J/mol×K	546.35	Calculated Property
Cp,liquid	1273.82	J/mol×K	588.25	Calculated Property
Cp,liquid	1325.75	J/mol×K	630.15	Calculated Property
Cp,liquid	1378.21	J/mol×K	672.05	Calculated Property
Cp,liquid	1431.87	J/mol×K	713.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058506; 0.0001311]	Pa×s	[336.85; 838.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15430e+01
Coefficient B			2.14160e+03
Coefficient C			7.67760e-03
Coefficient D			-5.44080e-09
Coefficient E			2.00000e+00
Temperature range, min.			336.85
Temperature range, max.			838.00
η	0.0058506	Pa×s	336.85	Calculated Property
η	0.0023765	Pa×s	392.53	Calculated Property
η	0.0012075	Pa×s	448.22	Calculated Property
η	0.0007126	Pa×s	503.90	Calculated Property
η	0.0004671	Pa×s	559.58	Calculated Property
η	0.0003305	Pa×s	615.27	Calculated Property
η	0.0002476	Pa×s	670.95	Calculated Property
η	0.0001939	Pa×s	726.63	Calculated Property
η	0.0001573	Pa×s	782.32	Calculated Property
η	0.0001311	Pa×s	838.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[134.39; 42.07]	kJ/mol	[336.85; 811.62]	ChemSep v8.3 pure component data Compiled value
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			1.92130e+02
Coefficient B			5.32820e-01
Coefficient C			7.83590e-01
Coefficient D			-9.69530e-01
Coefficient E			6.26080e-02
Critical temperature, Tc (K)			8.38000e+02
Temperature range, min.			336.85
Temperature range, max.			811.62
ΔvapH	134.39	kJ/mol	336.85	Calculated Property
ΔvapH	124.50	kJ/mol	389.60	Calculated Property
ΔvapH	114.86	kJ/mol	442.35	Calculated Property
ΔvapH	105.55	kJ/mol	495.11	Calculated Property
ΔvapH	96.61	kJ/mol	547.86	Calculated Property
ΔvapH	87.96	kJ/mol	600.61	Calculated Property
ΔvapH	79.42	kJ/mol	653.36	Calculated Property
ΔvapH	70.50	kJ/mol	706.12	Calculated Property
ΔvapH	59.91	kJ/mol	758.87	Calculated Property
ΔvapH	42.07	kJ/mol	811.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[5.03e-07; 656.20]	kPa	[336.85; 838.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			-1.11492e+01
Coefficient B			-1.16686e+04
Coefficient C			5.53421e+00
Coefficient D			-8.10378e-06
Coefficient E			2.00000e+00
Temperature range, min.			336.85
Temperature range, max.			838.00
Pvap	5.03e-07	kPa	336.85	Calculated Property
Pvap	1.15e-04	kPa	392.53	Calculated Property
Pvap	6.59e-03	kPa	448.22	Calculated Property
Pvap	0.15	kPa	503.90	Calculated Property
Pvap	1.61	kPa	559.58	Calculated Property
Pvap	10.58	kPa	615.27	Calculated Property
Pvap	46.15	kPa	670.95	Calculated Property
Pvap	144.79	kPa	726.63	Calculated Property
Pvap	345.85	kPa	782.32	Calculated Property
Pvap	656.20	kPa	838.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[806.63; 375.71]	kg/m3	[293.15; 811.62]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			5.25577e+01
Coefficient B			2.33660e-01
Coefficient C			8.38000e+02
Coefficient D			3.01210e-01
Temperature range, min.			293.15
Temperature range, max.			811.62
ρl	806.63	kg/m3	293.15	Calculated Property
ρl	773.25	kg/m3	350.76	Calculated Property
ρl	738.54	kg/m3	408.37	Calculated Property
ρl	702.20	kg/m3	465.97	Calculated Property
ρl	663.79	kg/m3	523.58	Calculated Property
ρl	622.64	kg/m3	581.19	Calculated Property
ρl	577.65	kg/m3	638.80	Calculated Property
ρl	526.80	kg/m3	696.40	Calculated Property
ρl	465.42	kg/m3	754.01	Calculated Property
ρl	375.71	kg/m3	811.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 2.99e-04]	N/m	[336.85; 811.62]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-6.74840e-02
Coefficient B			-2.45840e+01
Coefficient C			-1.87700e+00
Coefficient D			-1.35320e-03
Coefficient E			4.76880e-07
Temperature range, min.			336.85
Temperature range, max.			811.62
γ	0.03	N/m	336.85	Calculated Property
γ	0.02	N/m	389.60	Calculated Property
γ	0.02	N/m	442.35	Calculated Property
γ	0.02	N/m	495.11	Calculated Property
γ	0.01	N/m	547.86	Calculated Property
γ	0.01	N/m	600.61	Calculated Property
γ	0.01	N/m	653.36	Calculated Property
γ	0.00	N/m	706.12	Calculated Property
γ	0.00	N/m	758.87	Calculated Property
γ	2.99e-04	N/m	811.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.06]	W/m×K	[336.85; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			-2.57690e+02
Coefficient B			1.06970e+00
Coefficient C			-7.25010e+09
Coefficient D			-1.15930e+11
Temperature range, min.			336.85
Temperature range, max.			1000.00
λgas	0.01	W/m×K	336.85	Calculated Property
λgas	0.01	W/m×K	410.53	Calculated Property
λgas	0.01	W/m×K	484.22	Calculated Property
λgas	0.02	W/m×K	557.90	Calculated Property
λgas	0.02	W/m×K	631.58	Calculated Property
λgas	0.03	W/m×K	705.27	Calculated Property
λgas	0.03	W/m×K	778.95	Calculated Property
λgas	0.04	W/m×K	852.63	Calculated Property
λgas	0.05	W/m×K	926.32	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.08]	W/m×K	[336.85; 713.95]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-1.27200e-01
Coefficient B			8.85100e+00
Coefficient C			-1.12670e+00
Coefficient D			-3.50680e-04
Coefficient E			-3.69610e-07
Temperature range, min.			336.85
Temperature range, max.			713.95
λliquid	0.16	W/m×K	336.85	Calculated Property
λliquid	0.15	W/m×K	378.75	Calculated Property
λliquid	0.14	W/m×K	420.65	Calculated Property
λliquid	0.13	W/m×K	462.55	Calculated Property
λliquid	0.12	W/m×K	504.45	Calculated Property
λliquid	0.12	W/m×K	546.35	Calculated Property
λliquid	0.11	W/m×K	588.25	Calculated Property
λliquid	0.10	W/m×K	630.15	Calculated Property
λliquid	0.09	W/m×K	672.05	Calculated Property
λliquid	0.08	W/m×K	713.95	Calculated Property

Similar Compounds

Find more compounds similar to Nonacosane.

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)
• 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
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
• Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
• Joback Method
• McGowan Method
• NIST Webbook

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