Chemical Properties of 1-Penten-3-ol, acetate

InChI

InChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4,7H,1,5H2,2-3H3

InChI Key

MRLKTTBPWZXARX-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

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

Molecular Weight¹

128.17

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.45	kJ/mol	Joback Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
logPoct/wat	1.514		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Inp	[812.00; 812.00]
Inp	812.00		NIST
Inp	812.00		NIST
Tboil	404.89	K	Relay (1.0) Calculated Property
Tfus	185.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[160.19; 360.60]	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			1.72610e+01
Coefficient B			5.99940e-01
Coefficient C			-2.88500e-04
Coefficient D			3.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.19	J/mol×K	273.00	Calculated Property
Cp,gas	194.81	J/mol×K	353.78	Calculated Property
Cp,gas	226.11	J/mol×K	434.56	Calculated Property
Cp,gas	254.18	J/mol×K	515.33	Calculated Property
Cp,gas	279.13	J/mol×K	596.11	Calculated Property
Cp,gas	301.06	J/mol×K	676.89	Calculated Property
Cp,gas	320.07	J/mol×K	757.67	Calculated Property
Cp,gas	336.27	J/mol×K	838.44	Calculated Property
Cp,gas	349.74	J/mol×K	919.22	Calculated Property
Cp,gas	360.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0092075; 0.0002374]	Pa×s	[194.22; 416.24]	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			-1.15456e+01
Coefficient B			1.33194e+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.			194.22
Temperature range, max.			416.24
η	0.0092075	Pa×s	194.22	Calculated Property
η	0.0042509	Pa×s	218.89	Calculated Property
η	0.0022952	Pa×s	243.56	Calculated Property
η	0.0013880	Pa×s	268.23	Calculated Property
η	0.0009136	Pa×s	292.89	Calculated Property
η	0.0006417	Pa×s	317.56	Calculated Property
η	0.0004743	Pa×s	342.23	Calculated Property
η	0.0003651	Pa×s	366.90	Calculated Property
η	0.0002904	Pa×s	391.57	Calculated Property
η	0.0002374	Pa×s	416.24	Calculated Property

Similar Compounds

Find more compounds similar to 1-Penten-3-ol, acetate.

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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