Chemical Properties of (1R,5R)-1-Isopropyl-8-methyl-4-methylenespiro[4.5]dec-7-ene (CAS 55732-78-0)

InChI

InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,11,14H,4-6,8-10H2,1-3H3/t14-,15-/m0/s1

InChI Key

QZGRYPDXCBFNRS-GJZGRUSLSA-N

Formula

C15H24

SMILES

C=C1CCC(C(C)C)C12CC=C(C)CC2

Molecular Weight¹

204.35

CAS

55732-78-0

Other Names

• Spiro[4.5]dec-7-ene, 8-methyl-1-methylene-4-(1-methylethyl)-, (4R,5R)-
• Spiro[4.5]dec-7-ene, 8-methyl-1-methylene-4-(1-methylethyl)-, (4R-trans)-
• (+)-Acora-3,7(14)-diene
• Acora-3(7),14-diene

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.33	kJ/mol	Joback Calculated Property
ΔvapH°	64.40	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1404.00; 1412.00]
Inp	1404.00		NIST
Inp	1408.00		NIST
Inp	1412.00		NIST
Inp	1408.00		NIST
Tboil	531.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[245.57; 701.40]	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			-1.39020e+02
Coefficient B			1.75706e+00
Coefficient C			-1.41064e-03
Coefficient D			4.94000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.57	J/mol×K	273.00	Calculated Property
Cp,gas	327.91	J/mol×K	353.78	Calculated Property
Cp,gas	398.68	J/mol×K	434.56	Calculated Property
Cp,gas	459.44	J/mol×K	515.33	Calculated Property
Cp,gas	511.76	J/mol×K	596.11	Calculated Property
Cp,gas	557.20	J/mol×K	676.89	Calculated Property
Cp,gas	597.32	J/mol×K	757.67	Calculated Property
Cp,gas	633.68	J/mol×K	838.44	Calculated Property
Cp,gas	667.86	J/mol×K	919.22	Calculated Property
Cp,gas	701.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (1R,5R)-1-Isopropyl-8-methyl-4-methylenespiro[4.5]dec-7-ene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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