Chemical Properties of 3-Pentenoic acid, 1,1-dimethylethyl ester, (E)- (CAS 81643-03-0)

InChI

InChI=1S/C9H16O2/c1-5-6-7-8(10)11-9(2,3)4/h6-7H,5H2,1-4H3/b7-6+

InChI Key

RMMULFUBQFKFRL-VOTSOKGWSA-N

Formula

C9H16O2

SMILES

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

Molecular Weight¹

156.22

CAS

81643-03-0

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

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[197.28; 462.64]	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			-1.85390e+01
Coefficient B			9.49880e-01
Coefficient C			-6.26800e-04
Coefficient D			1.58100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.28	J/mol×K	273.00	Calculated Property
Cp,gas	246.06	J/mol×K	353.78	Calculated Property
Cp,gas	288.85	J/mol×K	434.56	Calculated Property
Cp,gas	326.14	J/mol×K	515.33	Calculated Property
Cp,gas	358.45	J/mol×K	596.11	Calculated Property
Cp,gas	386.27	J/mol×K	676.89	Calculated Property
Cp,gas	410.10	J/mol×K	757.67	Calculated Property
Cp,gas	430.44	J/mol×K	838.44	Calculated Property
Cp,gas	447.78	J/mol×K	919.22	Calculated Property
Cp,gas	462.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088613; 0.0002001]	Pa×s	[230.86; 458.04]	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			-1.23687e+01
Coefficient B			1.76438e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			230.86
Temperature range, max.			458.04
η	0.0088613	Pa×s	230.86	Calculated Property
η	0.0041721	Pa×s	256.10	Calculated Property
η	0.0022486	Pa×s	281.34	Calculated Property
η	0.0013418	Pa×s	306.59	Calculated Property
η	0.0008661	Pa×s	331.83	Calculated Property
η	0.0005947	Pa×s	357.07	Calculated Property
η	0.0004292	Pa×s	382.31	Calculated Property
η	0.0003225	Pa×s	407.55	Calculated Property
η	0.0002505	Pa×s	432.79	Calculated Property
η	0.0002001	Pa×s	458.04	Calculated Property

Similar Compounds

Find more compounds similar to 3-Pentenoic acid, 1,1-dimethylethyl ester, (E)-.

Sources

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

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