Chemical Properties of Formic acid, 2,2-dimethylpent-3-yl ester

InChI

InChI=1S/C8H16O2/c1-5-7(10-6-9)8(2,3)4/h6-7H,5H2,1-4H3

InChI Key

NGRFTIALBCTMLW-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCC(OC=O)C(C)(C)C

Molecular Weight¹

144.21

• 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°	11.59	kJ/mol	Joback Calculated Property
logPoct/wat	1.984		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Inp	[916.00; 916.00]
Inp	916.00		NIST
Inp	916.00		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	[184.24; 426.04]	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			-2.55390e+01
Coefficient B			9.43880e-01
Coefficient C			-6.99200e-04
Coefficient D			2.06900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.24	J/mol×K	273.00	Calculated Property
Cp,gas	230.03	J/mol×K	353.78	Calculated Property
Cp,gas	269.57	J/mol×K	434.56	Calculated Property
Cp,gas	303.50	J/mol×K	515.33	Calculated Property
Cp,gas	332.49	J/mol×K	596.11	Calculated Property
Cp,gas	357.17	J/mol×K	676.89	Calculated Property
Cp,gas	378.22	J/mol×K	757.67	Calculated Property
Cp,gas	396.27	J/mol×K	838.44	Calculated Property
Cp,gas	412.00	J/mol×K	919.22	Calculated Property
Cp,gas	426.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059445; 0.0003960]	Pa×s	[226.04; 434.07]	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			-1.07777e+01
Coefficient B			1.27767e+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.			226.04
Temperature range, max.			434.07
η	0.0059445	Pa×s	226.04	Calculated Property
η	0.0035187	Pa×s	249.15	Calculated Property
η	0.0022767	Pa×s	272.27	Calculated Property
η	0.0015770	Pa×s	295.38	Calculated Property
η	0.0011522	Pa×s	318.50	Calculated Property
η	0.0008783	Pa×s	341.61	Calculated Property
η	0.0006929	Pa×s	364.72	Calculated Property
η	0.0005624	Pa×s	387.84	Calculated Property
η	0.0004672	Pa×s	410.95	Calculated Property
η	0.0003960	Pa×s	434.07	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 2,2-dimethylpent-3-yl ester.

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

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