Chemical Properties of Benzene, (2,4-dimethylpentyl)- (CAS 54518-00-2)

InChI

InChI=1S/C13H20/c1-11(2)9-12(3)10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3

InChI Key

QXXSGHXNHITGDL-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC(C)CC(C)Cc1ccccc1

Molecular Weight¹

176.30

CAS

54518-00-2

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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	0.4327		Relay (1.0) Calculated Property
ΔcH°liquid	-7343.00	kJ/mol	NIST
ΔfG°	166.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-90.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.42	kJ/mol	Joback Calculated Property
ΔvapH°	60.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-5.10		Relay (1.0) Calculated Property
logPoct/wat	3.911		Crippen Calculated Property
McVol	170.270	ml/mol	McGowan Calculated Property
Pc	2227.09	kPa	Joback Calculated Property
Inp	1247.00		NIST
Tboil	[492.16; 492.16]	K
Tboil	492.16 ± 0.30	K	NIST
Tboil	492.16 ± 0.30	K	NIST
Tc	698.01	K	Relay (1.0) Calculated Property
Tfus	210.86	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.38; 572.56]	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			-4.61980e+01
Coefficient B			1.17176e+00
Coefficient C			-7.21000e-04
Coefficient D			1.68000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.38	J/mol×K	273.00	Calculated Property
Cp,gas	285.54	J/mol×K	353.78	Calculated Property
Cp,gas	340.63	J/mol×K	434.56	Calculated Property
Cp,gas	389.17	J/mol×K	515.33	Calculated Property
Cp,gas	431.68	J/mol×K	596.11	Calculated Property
Cp,gas	468.71	J/mol×K	676.89	Calculated Property
Cp,gas	500.78	J/mol×K	757.67	Calculated Property
Cp,gas	528.42	J/mol×K	838.44	Calculated Property
Cp,gas	552.17	J/mol×K	919.22	Calculated Property
Cp,gas	572.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086915; 0.0001870]	Pa×s	[232.69; 509.72]	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			-1.18088e+01
Coefficient B			1.64358e+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.			232.69
Temperature range, max.			509.72
η	0.0086915	Pa×s	232.69	Calculated Property
η	0.0038082	Pa×s	263.47	Calculated Property
η	0.0019830	Pa×s	294.25	Calculated Property
η	0.0011684	Pa×s	325.03	Calculated Property
η	0.0007544	Pa×s	355.81	Calculated Property
η	0.0005223	Pa×s	386.59	Calculated Property
η	0.0003817	Pa×s	417.37	Calculated Property
η	0.0002912	Pa×s	448.16	Calculated Property
η	0.0002301	Pa×s	478.94	Calculated Property
η	0.0001870	Pa×s	509.72	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2,4-dimethylpentyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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