Chemical Properties of (1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate (CAS 139757-62-3)

InChI

InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11+,12+/m0/s1

InChI Key

PBWRFXQNNGSAQG-QJPTWQEYSA-N

Formula

C12H18O2

SMILES

C=C1C(OC(C)=O)CC2(C(C)C)CC12

Molecular Weight¹

194.27

CAS

139757-62-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.14; 504.33]	J/mol×K	[558.02; 764.52]
Cp,gas	417.14	J/mol×K	558.02	Joback Calculated Property
Cp,gas	433.79	J/mol×K	592.44	Joback Calculated Property
Cp,gas	449.43	J/mol×K	626.85	Joback Calculated Property
Cp,gas	464.18	J/mol×K	661.27	Joback Calculated Property
Cp,gas	478.16	J/mol×K	695.68	Joback Calculated Property
Cp,gas	491.51	J/mol×K	730.10	Joback Calculated Property
Cp,gas	504.33	J/mol×K	764.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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