Chemical Properties of 7-Methyl-3-methylene-7-octen-1-ol, propanoate (ester) (CAS 73214-63-8)

InChI

InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h2,4-10H2,1,3H3

InChI Key

KRONWWNTASLWRC-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

C=C(C)CCCC(=C)CCOC(=O)CC

Molecular Weight¹

210.31

CAS

73214-63-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[278.28; 640.56]	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			1.11160e+01
Coefficient B			1.14384e+00
Coefficient C			-6.39200e-04
Coefficient D			1.24800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.28	J/mol×K	273.00	Calculated Property
Cp,gas	341.31	J/mol×K	353.78	Calculated Property
Cp,gas	397.71	J/mol×K	434.56	Calculated Property
Cp,gas	447.90	J/mol×K	515.33	Calculated Property
Cp,gas	492.27	J/mol×K	596.11	Calculated Property
Cp,gas	531.21	J/mol×K	676.89	Calculated Property
Cp,gas	565.11	J/mol×K	757.67	Calculated Property
Cp,gas	594.37	J/mol×K	838.44	Calculated Property
Cp,gas	619.39	J/mol×K	919.22	Calculated Property
Cp,gas	640.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7-Methyl-3-methylene-7-octen-1-ol, propanoate (ester).

Sources

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

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