Chemical Properties of Formic acid, 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C9H18O2/c1-8(6-11-7-10)5-9(2,3)4/h7-8H,5-6H2,1-4H3

InChI Key

RVKSKVZDYHFUFB-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CC(COC=O)CC(C)(C)C

Molecular Weight¹

158.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.45; 477.63]	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			-2.64480e+01
Coefficient B			1.03888e+00
Coefficient C			-7.53600e-04
Coefficient D			2.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.45	J/mol×K	273.00	Calculated Property
Cp,gas	256.45	J/mol×K	353.78	Calculated Property
Cp,gas	300.65	J/mol×K	434.56	Calculated Property
Cp,gas	338.73	J/mol×K	515.33	Calculated Property
Cp,gas	371.40	J/mol×K	596.11	Calculated Property
Cp,gas	399.33	J/mol×K	676.89	Calculated Property
Cp,gas	423.23	J/mol×K	757.67	Calculated Property
Cp,gas	443.79	J/mol×K	838.44	Calculated Property
Cp,gas	461.69	J/mol×K	919.22	Calculated Property
Cp,gas	477.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060777; 0.0003983]	Pa×s	[237.31; 448.95]	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			-1.08839e+01
Coefficient B			1.37183e+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.			237.31
Temperature range, max.			448.95
η	0.0060777	Pa×s	237.31	Calculated Property
η	0.0036091	Pa×s	260.83	Calculated Property
η	0.0023361	Pa×s	284.34	Calculated Property
η	0.0016160	Pa×s	307.86	Calculated Property
η	0.0011779	Pa×s	331.37	Calculated Property
η	0.0008953	Pa×s	354.89	Calculated Property
η	0.0007041	Pa×s	378.40	Calculated Property
η	0.0005696	Pa×s	401.92	Calculated Property
η	0.0004716	Pa×s	425.43	Calculated Property
η	0.0003983	Pa×s	448.95	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 2,4,4-trimethylpentyl ester.

Sources

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

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