Chemical Properties of hexanoic acid, 1-methylpropyl ester (CAS 820-00-8)

InChI

InChI=1S/C10H20O2/c1-4-6-7-8-10(11)12-9(3)5-2/h9H,4-8H2,1-3H3

InChI Key

XVTUSVZMEFPBMT-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCC(=O)OC(C)CC

Molecular Weight¹

172.26

CAS

820-00-8

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[233.64; 543.88]	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			1.75250e+01
Coefficient B			9.04960e-01
Coefficient C			-4.28800e-04
Coefficient D			5.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.64	J/mol×K	273.00	Calculated Property
Cp,gas	286.23	J/mol×K	353.78	Calculated Property
Cp,gas	333.93	J/mol×K	434.56	Calculated Property
Cp,gas	376.88	J/mol×K	515.33	Calculated Property
Cp,gas	415.24	J/mol×K	596.11	Calculated Property
Cp,gas	449.18	J/mol×K	676.89	Calculated Property
Cp,gas	478.86	J/mol×K	757.67	Calculated Property
Cp,gas	504.43	J/mol×K	838.44	Calculated Property
Cp,gas	526.05	J/mol×K	919.22	Calculated Property
Cp,gas	543.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093278; 0.0002380]	Pa×s	[229.79; 461.31]	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			-1.19839e+01
Coefficient B			1.67958e+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.			229.79
Temperature range, max.			461.31
η	0.0093278	Pa×s	229.79	Calculated Property
η	0.0044688	Pa×s	255.51	Calculated Property
η	0.0024495	Pa×s	281.24	Calculated Property
η	0.0014850	Pa×s	306.96	Calculated Property
η	0.0009727	Pa×s	332.69	Calculated Property
η	0.0006770	Pa×s	358.41	Calculated Property
η	0.0004947	Pa×s	384.14	Calculated Property
η	0.0003760	Pa×s	409.86	Calculated Property
η	0.0002951	Pa×s	435.59	Calculated Property
η	0.0002380	Pa×s	461.31	Calculated Property

Similar Compounds

Find more compounds similar to hexanoic acid, 1-methylpropyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.