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

InChI

InChI=1S/C12H18O2/c1-5-6-10-7-8-11(13-3)9(2)12(10)14-4/h7-8H,5-6H2,1-4H3

InChI Key

NRIXNYIKCHUTPF-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CCCc1ccc(OC)c(C)c1OC

Molecular Weight¹

194.27

• 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°	22.09	kJ/mol	Joback Calculated Property
logPoct/wat	2.965		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Inp	[1440.00; 1454.00]
Inp	1440.00		NIST
Inp	1454.00		NIST
Inp	1440.00		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	[241.25; 547.77]	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			5.19720e+01
Coefficient B			7.60080e-01
Coefficient C			-2.37080e-04
Coefficient D			-2.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.25	J/mol×K	273.00	Calculated Property
Cp,gas	289.99	J/mol×K	353.78	Calculated Property
Cp,gas	335.27	J/mol×K	434.56	Calculated Property
Cp,gas	376.98	J/mol×K	515.33	Calculated Property
Cp,gas	415.06	J/mol×K	596.11	Calculated Property
Cp,gas	449.40	J/mol×K	676.89	Calculated Property
Cp,gas	479.93	J/mol×K	757.67	Calculated Property
Cp,gas	506.56	J/mol×K	838.44	Calculated Property
Cp,gas	529.20	J/mol×K	919.22	Calculated Property
Cp,gas	547.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008729; 0.0001516]	Pa×s	[333.44; 531.91]	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			-1.17347e+01
Coefficient B			1.56418e+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.			333.44
Temperature range, max.			531.91
η	0.0008729	Pa×s	333.44	Calculated Property
η	0.0006525	Pa×s	355.49	Calculated Property
η	0.0005046	Pa×s	377.54	Calculated Property
η	0.0004015	Pa×s	399.60	Calculated Property
η	0.0003272	Pa×s	421.65	Calculated Property
η	0.0002721	Pa×s	443.70	Calculated Property
η	0.0002303	Pa×s	465.75	Calculated Property
η	0.0001978	Pa×s	487.80	Calculated Property
η	0.0001722	Pa×s	509.85	Calculated Property
η	0.0001516	Pa×s	531.91	Calculated Property

Similar Compounds

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

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.