Chemical Properties of Benzene, 1,2,4-trimethyl-5-pentyl

InChI

InChI=1S/C14H22/c1-5-6-7-8-14-10-12(3)11(2)9-13(14)4/h9-10H,5-8H2,1-4H3

InChI Key

CVCUTPRPQSHDGA-UHFFFAOYSA-N

Formula

C14H22

SMILES

CCCCCc1cc(C)c(C)cc1C

Molecular Weight¹

190.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.89	kJ/mol	Joback Calculated Property
log10WS	-5.84		Relay (1.0) Calculated Property
logPoct/wat	4.345		Crippen Calculated Property
McVol	184.360	ml/mol	McGowan Calculated Property
Inp	[1252.00; 1252.00]
Inp	1252.00		NIST
Inp	1252.00		NIST
Inp	1252.00		NIST
Tboil	538.42	K	Relay (1.0) Calculated Property
Tfus	257.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.87; 613.95]	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			-8.46000e-01
Coefficient B			1.07648e+00
Coefficient C			-5.67880e-04
Coefficient D			1.06200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.87	J/mol×K	273.00	Calculated Property
Cp,gas	313.62	J/mol×K	353.78	Calculated Property
Cp,gas	368.42	J/mol×K	434.56	Calculated Property
Cp,gas	417.62	J/mol×K	515.33	Calculated Property
Cp,gas	461.56	J/mol×K	596.11	Calculated Property
Cp,gas	500.56	J/mol×K	676.89	Calculated Property
Cp,gas	534.96	J/mol×K	757.67	Calculated Property
Cp,gas	565.11	J/mol×K	838.44	Calculated Property
Cp,gas	591.32	J/mol×K	919.22	Calculated Property
Cp,gas	613.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014453; 0.0001953]	Pa×s	[311.52; 531.09]	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			-1.13812e+01
Coefficient B			1.50832e+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.			311.52
Temperature range, max.			531.09
η	0.0014453	Pa×s	311.52	Calculated Property
η	0.0010168	Pa×s	335.92	Calculated Property
η	0.0007502	Pa×s	360.31	Calculated Property
η	0.0005753	Pa×s	384.71	Calculated Property
η	0.0004554	Pa×s	409.11	Calculated Property
η	0.0003700	Pa×s	433.50	Calculated Property
η	0.0003074	Pa×s	457.90	Calculated Property
η	0.0002602	Pa×s	482.30	Calculated Property
η	0.0002239	Pa×s	506.69	Calculated Property
η	0.0001953	Pa×s	531.09	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4-trimethyl-5-pentyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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