Chemical Properties of Benzene, 1,3-dimethoxy-2-methyl-4-pentyl

InChI

InChI=1S/C14H22O2/c1-5-6-7-8-12-9-10-13(15-3)11(2)14(12)16-4/h9-10H,5-8H2,1-4H3

InChI Key

BJKIXSUOHIMKOW-UHFFFAOYSA-N

Formula

C14H22O2

SMILES

CCCCCc1ccc(OC)c(C)c1OC

Molecular Weight¹

222.32

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.27	kJ/mol	Joback Calculated Property
logPoct/wat	3.745		Crippen Calculated Property
McVol	196.100	ml/mol	McGowan Calculated Property
Inp	[1619.00; 1619.00]
Inp	1619.00		NIST
Inp	1619.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[283.68; 650.95]	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			5.01540e+01
Coefficient B			9.50080e-01
Coefficient C			-3.45880e-04
Coefficient D			-3.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.68	J/mol×K	273.00	Calculated Property
Cp,gas	342.83	J/mol×K	353.78	Calculated Property
Cp,gas	397.42	J/mol×K	434.56	Calculated Property
Cp,gas	447.44	J/mol×K	515.33	Calculated Property
Cp,gas	492.88	J/mol×K	596.11	Calculated Property
Cp,gas	533.72	J/mol×K	676.89	Calculated Property
Cp,gas	569.96	J/mol×K	757.67	Calculated Property
Cp,gas	601.59	J/mol×K	838.44	Calculated Property
Cp,gas	628.59	J/mol×K	919.22	Calculated Property
Cp,gas	650.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008461; 0.0001406]	Pa×s	[355.98; 560.27]	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			-1.19978e+01
Coefficient B			1.75250e+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.			355.98
Temperature range, max.			560.27
η	0.0008461	Pa×s	355.98	Calculated Property
η	0.0006299	Pa×s	378.68	Calculated Property
η	0.0004849	Pa×s	401.38	Calculated Property
η	0.0003838	Pa×s	424.08	Calculated Property
η	0.0003111	Pa×s	446.78	Calculated Property
η	0.0002574	Pa×s	469.47	Calculated Property
η	0.0002167	Pa×s	492.17	Calculated Property
η	0.0001852	Pa×s	514.87	Calculated Property
η	0.0001604	Pa×s	537.57	Calculated Property
η	0.0001406	Pa×s	560.27	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-dimethoxy-2-methyl-4-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.