Chemical Properties of Carbonic acid, but-3-en-1-yl heptyl ester

InChI

InChI=1S/C12H22O3/c1-3-5-7-8-9-11-15-12(13)14-10-6-4-2/h4H,2-3,5-11H2,1H3

InChI Key

MAINAQRDASKZOW-UHFFFAOYSA-N

Formula

C12H22O3

SMILES

C=CCCOC(=O)OCCCCCCC

Molecular Weight¹

214.30

• 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	[281.98; 636.52]	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			3.98980e+01
Coefficient B			1.00582e+00
Coefficient C			-4.46300e-04
Coefficient D			3.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.98	J/mol×K	273.00	Calculated Property
Cp,gas	341.52	J/mol×K	353.78	Calculated Property
Cp,gas	395.75	J/mol×K	434.56	Calculated Property
Cp,gas	444.78	J/mol×K	515.33	Calculated Property
Cp,gas	488.75	J/mol×K	596.11	Calculated Property
Cp,gas	527.75	J/mol×K	676.89	Calculated Property
Cp,gas	561.91	J/mol×K	757.67	Calculated Property
Cp,gas	591.35	J/mol×K	838.44	Calculated Property
Cp,gas	616.18	J/mol×K	919.22	Calculated Property
Cp,gas	636.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032734; 0.0001954]	Pa×s	[287.80; 504.77]	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			-1.22786e+01
Coefficient B			1.88701e+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.			287.80
Temperature range, max.			504.77
η	0.0032734	Pa×s	287.80	Calculated Property
η	0.0019720	Pa×s	311.91	Calculated Property
η	0.0012776	Pa×s	336.02	Calculated Property
η	0.0008773	Pa×s	360.12	Calculated Property
η	0.0006315	Pa×s	384.23	Calculated Property
η	0.0004725	Pa×s	408.34	Calculated Property
η	0.0003652	Pa×s	432.45	Calculated Property
η	0.0002901	Pa×s	456.55	Calculated Property
η	0.0002357	Pa×s	480.66	Calculated Property
η	0.0001954	Pa×s	504.77	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, but-3-en-1-yl heptyl ester.

Sources

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

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