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

380.73

CAS

593-49-7

Other Names

• n-Heptacosane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1126		Relay (1.0) Calculated Property
ΔfG°	176.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.69	kJ/mol	Joback Calculated Property
ΔsubH°	196.00 ± 30.00	kJ/mol	NIST
ΔvapH°	139.70	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	688.89	kPa	Joback Calculated Property
Inp	[426.00; 447.80]
Inp	429.45		NIST
Inp	447.80		NIST
Inp	426.00		NIST
Inp	426.00		NIST
Tboil	617.47	K	Relay (1.0) Calculated Property
Tc	787.99	K	Relay (1.0) Calculated Property
Tfus	330.43	K	Relay (1.0) Calculated Property
Ttriple	332.00 ± 0.10	K	NIST
Vc	1.599	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1281.81; 1412.80]	J/mol×K	[817.16; 1000.84]
Cp,gas	1281.81	J/mol×K	817.16	Joback Calculated Property
Cp,gas	1306.54	J/mol×K	847.77	Joback Calculated Property
Cp,gas	1330.04	J/mol×K	878.39	Joback Calculated Property
Cp,gas	1352.36	J/mol×K	909.00	Joback Calculated Property
Cp,gas	1373.56	J/mol×K	939.61	Joback Calculated Property
Cp,gas	1393.68	J/mol×K	970.23	Joback Calculated Property
Cp,gas	1412.80	J/mol×K	1000.84	Joback Calculated Property
Cp,solid	828.00	J/mol×K	313.00	NIST
η	[0.0000379; 0.0016072]	Pa×s	[394.05; 817.16]
η	0.0016072	Pa×s	394.05	Joback Calculated Property
η	0.0005356	Pa×s	464.57	Joback Calculated Property
η	0.0002384	Pa×s	535.09	Joback Calculated Property
η	0.0001282	Pa×s	605.61	Joback Calculated Property
η	0.0000784	Pa×s	676.12	Joback Calculated Property
η	0.0000526	Pa×s	746.64	Joback Calculated Property
η	0.0000379	Pa×s	817.16	Joback Calculated Property
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.07; 101.55]	kPa	[473.15; 695.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.45690e+02
Coefficient B			-3.16699e+04
Coefficient C			-4.62242e+01
Coefficient D			1.44570e-05
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

Similar Compounds

Find more compounds similar to Heptacosane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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

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