Chemical Properties of HEPTANAL, 7,7-DIMETHOXY-

InChI

InChI=1S/C9H18O3/c1-11-9(12-2)7-5-3-4-6-8-10/h8-9H,3-7H2,1-2H3

InChI Key

ZSCWUFCWRFKZGG-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

COC(CCCCCC=O)OC

Molecular Weight¹

174.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.81; 511.97]	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			5.54250e+01
Coefficient B			7.12840e-01
Coefficient C			-2.40000e-04
Coefficient D			-1.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.81	J/mol×K	273.00	Calculated Property
Cp,gas	276.85	J/mol×K	353.78	Calculated Property
Cp,gas	318.53	J/mol×K	434.56	Calculated Property
Cp,gas	356.81	J/mol×K	515.33	Calculated Property
Cp,gas	391.62	J/mol×K	596.11	Calculated Property
Cp,gas	422.92	J/mol×K	676.89	Calculated Property
Cp,gas	450.66	J/mol×K	757.67	Calculated Property
Cp,gas	474.78	J/mol×K	838.44	Calculated Property
Cp,gas	495.23	J/mol×K	919.22	Calculated Property
Cp,gas	511.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038602; 0.0002491]	Pa×s	[262.65; 469.80]	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			-1.17726e+01
Coefficient B			1.63251e+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.			262.65
Temperature range, max.			469.80
η	0.0038602	Pa×s	262.65	Calculated Property
η	0.0023395	Pa×s	285.67	Calculated Property
η	0.0015278	Pa×s	308.68	Calculated Property
η	0.0010585	Pa×s	331.70	Calculated Property
η	0.0007691	Pa×s	354.72	Calculated Property
η	0.0005810	Pa×s	377.74	Calculated Property
η	0.0004533	Pa×s	400.75	Calculated Property
η	0.0003633	Pa×s	423.77	Calculated Property
η	0.0002979	Pa×s	446.79	Calculated Property
η	0.0002491	Pa×s	469.80	Calculated Property

Similar Compounds

Find more compounds similar to HEPTANAL, 7,7-DIMETHOXY-.

Sources

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

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