Chemical Properties of Heptacosane (CAS 593-49-7)

InChI

InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3

InChI Key

BJQWYEJQWHSSCJ-UHFFFAOYSA-N

Formula

C27H56

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

380.74

CAS

593-49-7

Other Names

• n-heptacosane

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (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).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2136		ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	171.60	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-602.10	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	65.69	kJ/mol	Joback Calculated Property
ΔsubH°	196.00 ± 30.00	kJ/mol	NIST
ΔvapH°	141.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-10.58		Relay (1.0) Calculated Property
logPoct/wat	10.779		Crippen Calculated Property
McVol	391.290	ml/mol	McGowan Calculated Property
Pc	883.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	2.83e-07	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[426.00; 447.80]
Inp	429.45		NIST
Inp	447.80		NIST
Inp	426.00		NIST
Inp	426.00		NIST
Tboil	695.25	K	ChemSep v8.3 pure component data Compiled value
Tc	826.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[331.00; 334.00]	K
Tfus	332.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	332.65	K	ChemSep v8.3 pure component data Compiled value
Tfus	331.85 ± 0.40	K	NIST
Tfus	332.00 ± 0.30	K	NIST
Tfus	331.83 ± 0.20	K	NIST
Tfus	332.30 ± 0.60	K	NIST
Tfus	332.10 ± 0.50	K	NIST
Tfus	332.00 ± 2.00	K	NIST
Tfus	331.65 ± 2.00	K	NIST
Tfus	Outlier 333.70 ± 2.00	K	NIST
Tfus	Outlier 334.00 ± 2.00	K	NIST
Tfus	332.20 ± 0.80	K	NIST
Tfus	332.70 ± 2.00	K	NIST
Tfus	332.70 ± 0.80	K	NIST
Tfus	Outlier 331.00 ± 5.00	K	NIST
Tfus	332.70 ± 0.80	K	NIST
Tfus	332.20 ± 1.50	K	NIST
Tfus	331.90 ± 1.00	K	NIST
Tfus	332.60 ± 1.00	K	NIST
Tfus	332.70 ± 3.00	K	NIST
Tfus	332.70 ± 1.00	K	NIST
Ttriple	[332.00; 332.15]	K
Ttriple	332.15	K	ChemSep v8.3 pure component data Compiled value
Ttriple	332.00 ± 0.10	K	NIST
UQi	15.20		ChemSep v8.3 pure component data Compiled value
URi	18.66		ChemSep v8.3 pure component data Compiled value
Vc	1.580	m3/kmol	ChemSep v8.3 pure component data Compiled value
VCOSTALD	1.94	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.90		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	0.2030000		ChemSep v8.3 pure component data Compiled value
Zra	0.23		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	828.00	J/mol×K	313.00	NIST
ΔfusH	[2.26; 62.80]	kJ/mol	[318.00; 332.10]
ΔfusH	2.26	kJ/mol	318.00	NIST
ΔfusH	26.28	kJ/mol	325.40	NIST
ΔfusH	62.80	kJ/mol	331.60	NIST
ΔfusH	59.05	kJ/mol	332.10	NIST
ΔfusH	59.05	kJ/mol	332.10	NIST
ΔvapH	[94.20; 135.60]	kJ/mol	[298.15; 584.00]
ΔvapH	135.60	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	132.00 ± 1.00	kJ/mol	421.00	NIST
ΔvapH	116.90 ± 3.00	kJ/mol	421.00	NIST
ΔvapH	94.20	kJ/mol	539.00	NIST
ΔvapH	104.30	kJ/mol	584.00	NIST
Pvap	[5.90e-04; 0.04]	kPa	[401.68; 462.27]
Pvap	5.92e-04	kPa	401.68	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	5.90e-04	kPa	401.69	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	1.29e-03	kPa	411.78	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	1.30e-03	kPa	411.81	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	2.69e-03	kPa	421.93	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	2.72e-03	kPa	421.95	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	5.56e-03	kPa	432.03	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.01	kPa	442.18	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.02	kPa	452.27	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.04	kPa	462.27	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
Pvap	0.04	kPa	462.27	Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
ΔfusS	[7.11; 177.82]	J/mol×K	[318.00; 332.10]
ΔfusS	7.11	J/mol×K	318.00	NIST
ΔfusS	80.75	J/mol×K	325.40	NIST
ΔfusS	177.82	J/mol×K	332.10	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	543.20	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.98; 1638.86]	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			3.24210e+02
Coefficient B			-5.07110e+02
Coefficient C			7.32724e+00
Coefficient D			2.70320e-04
Coefficient E			-9.48130e-08
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	577.98	J/mol×K	273.00	Calculated Property
Cp,gas	808.72	J/mol×K	409.33	Calculated Property
Cp,gas	1000.88	J/mol×K	545.67	Calculated Property
Cp,gas	1156.30	J/mol×K	682.00	Calculated Property
Cp,gas	1282.62	J/mol×K	818.33	Calculated Property
Cp,gas	1386.00	J/mol×K	954.67	Calculated Property
Cp,gas	1470.74	J/mol×K	1091.00	Calculated Property
Cp,gas	1539.84	J/mol×K	1227.33	Calculated Property
Cp,gas	1595.37	J/mol×K	1363.67	Calculated Property
Cp,gas	1638.86	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[838.23; 1322.56]	J/mol×K	[332.15; 695.25]	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			2.87690e+02
Coefficient B			-4.99880e+02
Coefficient C			8.33024e+00
Coefficient D			-2.08470e-03
Coefficient E			1.61400e-06
Temperature range, min.			332.15
Temperature range, max.			695.25
Cp,liquid	838.23	J/mol×K	332.15	Calculated Property
Cp,liquid	911.39	J/mol×K	372.49	Calculated Property
Cp,liquid	975.73	J/mol×K	412.84	Calculated Property
Cp,liquid	1033.09	J/mol×K	453.18	Calculated Property
Cp,liquid	1085.31	J/mol×K	493.53	Calculated Property
Cp,liquid	1134.07	J/mol×K	533.87	Calculated Property
Cp,liquid	1180.89	J/mol×K	574.22	Calculated Property
Cp,liquid	1227.11	J/mol×K	614.56	Calculated Property
Cp,liquid	1273.95	J/mol×K	654.91	Calculated Property
Cp,liquid	1322.56	J/mol×K	695.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056260; 0.0002151]	Pa×s	[332.15; 695.25]	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			-1.13370e+01
Coefficient B			2.07170e+03
Coefficient C			-1.40830e-02
Coefficient D			1.05600e-08
Coefficient E			2.00000e+00
Temperature range, min.			332.15
Temperature range, max.			695.25
η	0.0056260	Pa×s	332.15	Calculated Property
η	0.0028592	Pa×s	372.49	Calculated Property
η	0.0016585	Pa×s	412.84	Calculated Property
η	0.0010600	Pa×s	453.18	Calculated Property
η	0.0007289	Pa×s	493.53	Calculated Property
η	0.0005304	Pa×s	533.87	Calculated Property
η	0.0004036	Pa×s	574.22	Calculated Property
η	0.0003183	Pa×s	614.56	Calculated Property
η	0.0002585	Pa×s	654.91	Calculated Property
η	0.0002151	Pa×s	695.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[124.13; 38.05]	kJ/mol	[332.15; 800.01]	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			1.73800e+02
Coefficient B			5.54550e-01
Coefficient C			6.61900e-01
Coefficient D			-1.18640e+00
Coefficient E			3.92350e-01
Critical temperature, Tc (K)			8.26000e+02
Temperature range, min.			332.15
Temperature range, max.			800.01
ΔvapH	124.13	kJ/mol	332.15	Calculated Property
ΔvapH	116.08	kJ/mol	384.13	Calculated Property
ΔvapH	108.22	kJ/mol	436.12	Calculated Property
ΔvapH	100.54	kJ/mol	488.10	Calculated Property
ΔvapH	92.96	kJ/mol	540.09	Calculated Property
ΔvapH	85.32	kJ/mol	592.07	Calculated Property
ΔvapH	77.32	kJ/mol	644.06	Calculated Property
ΔvapH	68.35	kJ/mol	696.04	Calculated Property
ΔvapH	57.00	kJ/mol	748.03	Calculated Property
ΔvapH	38.05	kJ/mol	800.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.24e-07; 878.53]	kPa	[332.15; 826.00]	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			2.47372e+02
Coefficient B			-2.52660e+04
Coefficient C			-3.22680e+01
Coefficient D			9.85740e-06
Coefficient E			2.00000e+00
Temperature range, min.			332.15
Temperature range, max.			826.00
Pvap	3.24e-07	kPa	332.15	Calculated Property
Pvap	1.66e-04	kPa	387.02	Calculated Property
Pvap	0.01	kPa	441.89	Calculated Property
Pvap	0.25	kPa	496.77	Calculated Property
Pvap	2.38	kPa	551.64	Calculated Property
Pvap	13.14	kPa	606.51	Calculated Property
Pvap	50.56	kPa	661.38	Calculated Property
Pvap	151.89	kPa	716.26	Calculated Property
Pvap	386.01	kPa	771.13	Calculated Property
Pvap	878.53	kPa	826.00	Calculated Property
Pvap	[0.07; 101.55]	kPa	[473.15; 695.15]	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			3.45690e+02
Coefficient B			-3.16699e+04
Coefficient C			-4.62242e+01
Coefficient D			1.44570e-05
Coefficient E			0.00000e+00
Temperature range, min.			473.15
Temperature range, max.			695.15
Pvap	0.07	kPa	473.15	Calculated Property
Pvap	0.24	kPa	497.82	Calculated Property
Pvap	0.76	kPa	522.48	Calculated Property
Pvap	2.02	kPa	547.15	Calculated Property
Pvap	4.77	kPa	571.82	Calculated Property
Pvap	10.15	kPa	596.48	Calculated Property
Pvap	19.84	kPa	621.15	Calculated Property
Pvap	36.11	kPa	645.82	Calculated Property
Pvap	62.02	kPa	670.48	Calculated Property
Pvap	101.55	kPa	695.15	Calculated Property
Pvap	[3.02e-06; 6.00e-03]	kPa	[351.30; 434.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.90107e+01
Coefficient B			-8.41426e+03
Coefficient C			-8.60450e+01
Reference			Morecroft, 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			351.30
Temperature range, max.			434.80
Pvap	3.02e-06	kPa	351.30	Calculated Property
Pvap	8.82e-06	kPa	360.58	Calculated Property
Pvap	2.40e-05	kPa	369.86	Calculated Property
Pvap	6.14e-05	kPa	379.13	Calculated Property
Pvap	1.48e-04	kPa	388.41	Calculated Property
Pvap	3.39e-04	kPa	397.69	Calculated Property
Pvap	7.40e-04	kPa	406.97	Calculated Property
Pvap	1.55e-03	kPa	416.24	Calculated Property
Pvap	3.10e-03	kPa	425.52	Calculated Property
Pvap	6.00e-03	kPa	434.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[802.36; 376.23]	kg/m3	[293.15; 800.01]	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			5.09155e+01
Coefficient B			2.30610e-01
Coefficient C			8.26000e+02
Coefficient D			2.92720e-01
Temperature range, min.			293.15
Temperature range, max.			800.01
ρl	802.36	kg/m3	293.15	Calculated Property
ρl	769.74	kg/m3	349.47	Calculated Property
ρl	735.76	kg/m3	405.79	Calculated Property
ρl	700.12	kg/m3	462.10	Calculated Property
ρl	662.38	kg/m3	518.42	Calculated Property
ρl	621.84	kg/m3	574.74	Calculated Property
ρl	577.41	kg/m3	631.06	Calculated Property
ρl	527.02	kg/m3	687.37	Calculated Property
ρl	465.96	kg/m3	743.69	Calculated Property
ρl	376.23	kg/m3	800.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 2.44e-04]	N/m	[332.15; 800.01]	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			-6.53650e-02
Coefficient B			-2.76020e+01
Coefficient C			-1.86590e+00
Coefficient D			-1.48260e-03
Coefficient E			5.66330e-07
Temperature range, min.			332.15
Temperature range, max.			800.01
γ	0.03	N/m	332.15	Calculated Property
γ	0.02	N/m	384.13	Calculated Property
γ	0.02	N/m	436.12	Calculated Property
γ	0.02	N/m	488.10	Calculated Property
γ	0.01	N/m	540.09	Calculated Property
γ	0.01	N/m	592.07	Calculated Property
γ	0.01	N/m	644.06	Calculated Property
γ	0.00	N/m	696.04	Calculated Property
γ	0.00	N/m	748.03	Calculated Property
γ	2.44e-04	N/m	800.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.06]	W/m×K	[332.15; 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			-1.77260e+02
Coefficient B			1.06760e+00
Coefficient C			-4.74460e+09
Coefficient D			-7.28520e+10
Temperature range, min.			332.15
Temperature range, max.			1000.00
λgas	0.01	W/m×K	332.15	Calculated Property
λgas	0.01	W/m×K	406.36	Calculated Property
λgas	0.01	W/m×K	480.56	Calculated Property
λgas	0.02	W/m×K	554.77	Calculated Property
λgas	0.02	W/m×K	628.97	Calculated Property
λgas	0.03	W/m×K	703.18	Calculated Property
λgas	0.03	W/m×K	777.38	Calculated Property
λgas	0.04	W/m×K	851.59	Calculated Property
λgas	0.05	W/m×K	925.79	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.08]	W/m×K	[332.15; 695.25]	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			-1.28460e-01
Coefficient B			8.46620e+00
Coefficient C			-1.12320e+00
Coefficient D			-3.62910e-04
Coefficient E			-3.89930e-07
Temperature range, min.			332.15
Temperature range, max.			695.25
λliquid	0.15	W/m×K	332.15	Calculated Property
λliquid	0.15	W/m×K	372.49	Calculated Property
λliquid	0.14	W/m×K	412.84	Calculated Property
λliquid	0.13	W/m×K	453.18	Calculated Property
λliquid	0.12	W/m×K	493.53	Calculated Property
λliquid	0.12	W/m×K	533.87	Calculated Property
λliquid	0.11	W/m×K	574.22	Calculated Property
λliquid	0.10	W/m×K	614.56	Calculated Property
λliquid	0.09	W/m×K	654.91	Calculated Property
λliquid	0.08	W/m×K	695.25	Calculated Property

Similar Compounds

Find more compounds similar to Heptacosane.

Sources

• KDB Vapor Pressure Data
• 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).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• 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
• KDB
• McGowan Method
• NIST Webbook

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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.