Chemical Properties of 1-Heptacosene (CAS 15306-27-1)

InChI

InChI=1S/C27H54/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/h3H,1,4-27H2,2H3

InChI Key

YYLACZAXCCJCJO-UHFFFAOYSA-N

Formula

C27H54

SMILES

C=CCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

378.72

CAS

15306-27-1

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0709		Relay (1.0) Calculated Property
ΔfG°	264.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.41	kJ/mol	Joback Calculated Property
ΔvapH°	135.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-10.23		Relay (1.0) Calculated Property
logPoct/wat	10.555		Crippen Calculated Property
McVol	386.990	ml/mol	McGowan Calculated Property
Pc	704.33	kPa	Joback Calculated Property
Inp	[2684.20; 2694.00]
Inp	2684.20		NIST
Inp	2694.00		NIST
Inp	2688.00		NIST
Inp	2693.00		NIST
Inp	2684.20		NIST
Tboil	645.91	K	Relay (1.0) Calculated Property
Tc	802.86	K	Relay (1.0) Calculated Property
Tfus	311.28	K	Relay (1.0) Calculated Property
Vc	1.536	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.44; 1383.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.46460e+01
Coefficient B			2.54882e+00
Coefficient C			-1.46790e-03
Coefficient D			3.27500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.44	J/mol×K	273.00	Calculated Property
Cp,gas	707.85	J/mol×K	353.78	Calculated Property
Cp,gas	832.64	J/mol×K	434.56	Calculated Property
Cp,gas	943.84	J/mol×K	515.33	Calculated Property
Cp,gas	1042.49	J/mol×K	596.11	Calculated Property
Cp,gas	1129.63	J/mol×K	676.89	Calculated Property
Cp,gas	1206.29	J/mol×K	757.67	Calculated Property
Cp,gas	1273.51	J/mol×K	838.44	Calculated Property
Cp,gas	1332.33	J/mol×K	919.22	Calculated Property
Cp,gas	1383.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016041; 0.0000715]	Pa×s	[392.29; 697.70]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.35412e+01
Coefficient B			2.78760e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			392.29
Temperature range, max.			697.70
η	0.0016041	Pa×s	392.29	Calculated Property
η	0.0009110	Pa×s	426.22	Calculated Property
η	0.0005624	Pa×s	460.16	Calculated Property
η	0.0003710	Pa×s	494.09	Calculated Property
η	0.0002582	Pa×s	528.03	Calculated Property
η	0.0001877	Pa×s	561.96	Calculated Property
η	0.0001415	Pa×s	595.90	Calculated Property
η	0.0001100	Pa×s	629.83	Calculated Property
η	0.0000877	Pa×s	663.77	Calculated Property
η	0.0000715	Pa×s	697.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[527.41; 734.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.25286e+01
Coefficient B			-3.63313e+03
Coefficient C			-2.30607e+02
Temperature range, min.			527.41
Temperature range, max.			734.01
Pvap	1.33	kPa	527.41	Calculated Property
Pvap	3.21	kPa	550.37	Calculated Property
Pvap	6.87	kPa	573.32	Calculated Property
Pvap	13.37	kPa	596.28	Calculated Property
Pvap	24.05	kPa	619.23	Calculated Property
Pvap	40.50	kPa	642.19	Calculated Property
Pvap	64.57	kPa	665.14	Calculated Property
Pvap	98.22	kPa	688.10	Calculated Property
Pvap	143.55	kPa	711.05	Calculated Property
Pvap	202.66	kPa	734.01	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptacosene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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