Chemical Properties of Pentacosane, 13-phenyl- (CAS 6006-90-2)

InChI

InChI=1S/C31H56/c1-3-5-7-9-11-13-15-17-19-22-26-30(31-28-24-21-25-29-31)27-23-20-18-16-14-12-10-8-6-4-2/h21,24-25,28-30H,3-20,22-23,26-27H2,1-2H3

InChI Key

FARZSOUCOJBKMW-UHFFFAOYSA-N

Formula

C31H56

SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)c1ccccc1

Molecular Weight¹

428.78

CAS

6006-90-2

Other Names

• 13-Phenylpentacosane
• Benzene, (1-dodecyltridecyl)-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• 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	1.1323		Relay (1.0) Calculated Property
ΔcH°solid	-19515.00 ± 7.50	kJ/mol	NIST
ΔfG°	320.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.09	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-687.00 ± 7.60	kJ/mol	NIST
ΔfusH°	66.56	kJ/mol	Joback Calculated Property
ΔvapH°	137.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-10.60		Relay (1.0) Calculated Property
logPoct/wat	11.392		Crippen Calculated Property
McVol	423.890	ml/mol	McGowan Calculated Property
Pc	672.90	kPa	Joback Calculated Property
Tboil	671.46	K	Relay (1.0) Calculated Property
Tc	863.52	K	Relay (1.0) Calculated Property
Tfus	[138.10; 304.85]	K
Tfus	304.85 ± 0.50	K	NIST
Tfus	138.10 ± 6.27	K	NIST
Tfus	138.10 ± 6.27	K	NIST
Vc	1.622	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.54; 1500.66]	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			-6.08780e+01
Coefficient B			2.87584e+00
Coefficient C			-1.69700e-03
Coefficient D			3.82700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	605.54	J/mol×K	273.00	Calculated Property
Cp,gas	761.08	J/mol×K	353.78	Calculated Property
Cp,gas	899.78	J/mol×K	434.56	Calculated Property
Cp,gas	1022.84	J/mol×K	515.33	Calculated Property
Cp,gas	1131.48	J/mol×K	596.11	Calculated Property
Cp,gas	1226.91	J/mol×K	676.89	Calculated Property
Cp,gas	1310.33	J/mol×K	757.67	Calculated Property
Cp,gas	1382.95	J/mol×K	838.44	Calculated Property
Cp,gas	1445.99	J/mol×K	919.22	Calculated Property
Cp,gas	1500.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[14.4890033; 0.0000352]	Pa×s	[193.68; 802.48]	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			-1.43680e+01
Coefficient B			3.30064e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			193.68
Temperature range, max.			802.48
η	14.4890033	Pa×s	193.68	Calculated Property
η	0.1759185	Pa×s	261.33	Calculated Property
η	0.0131044	Pa×s	328.97	Calculated Property
η	0.0023673	Pa×s	396.61	Calculated Property
η	0.0007041	Pa×s	464.26	Calculated Property
η	0.0002851	Pa×s	531.90	Calculated Property
η	0.0001416	Pa×s	599.55	Calculated Property
η	0.0000810	Pa×s	667.19	Calculated Property
η	0.0000514	Pa×s	734.83	Calculated Property
η	0.0000352	Pa×s	802.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[560.12; 800.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39905e+01
Coefficient B			-5.68118e+03
Coefficient C			-1.45522e+02
Temperature range, min.			560.12
Temperature range, max.			800.11
Pvap	1.33	kPa	560.12	Calculated Property
Pvap	3.05	kPa	586.79	Calculated Property
Pvap	6.36	kPa	613.45	Calculated Property
Pvap	12.23	kPa	640.12	Calculated Property
Pvap	22.01	kPa	666.78	Calculated Property
Pvap	37.41	kPa	693.45	Calculated Property
Pvap	60.53	kPa	720.11	Calculated Property
Pvap	93.84	kPa	746.78	Calculated Property
Pvap	140.17	kPa	773.44	Calculated Property
Pvap	202.64	kPa	800.11	Calculated Property

Similar Compounds

Find more compounds similar to Pentacosane, 13-phenyl-.

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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