Chemical Properties of Spiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]- (CAS 24048-44-0)

InChI

InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15+/m0/s1

InChI Key

DVBSKQAFCDJNSL-RRFJBIMHSA-N

Formula

C15H24

SMILES

C=C(C)[C@H]1CC[C@H](C)[C@]12CC=C(C)CC2

Molecular Weight¹

204.36

CAS

24048-44-0

Other Names

• Spiro[4.5]dec-7-ene, 1-isopropenyl-4,8-dimethyl-, (1S,4R,5S)-(-)-
• Acoradien
• Acoradiene

• 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).
• I_np : Non-polar retention indices.
• I_p : 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°	15.49	kJ/mol	Joback Calculated Property
ΔvapH°	63.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1421.00; 1483.00]
Inp	1440.00		NIST
Inp	1462.00		NIST
Inp	1474.00		NIST
Inp	Outlier 1421.00		NIST
Inp	1471.00		NIST
Inp	1459.00		NIST
Inp	1479.00		NIST
Inp	1471.00		NIST
Inp	1483.00		NIST
Inp	1483.00		NIST
Inp	1464.00		NIST
Inp	1476.00		NIST
Inp	1474.00		NIST
Ip	[1689.00; 1698.00]
Ip	1689.00		NIST
Ip	1698.00		NIST
Tboil	536.53	K	Relay (1.0) Calculated Property
Tfus	240.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[241.99; 710.65]	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			-1.56370e+02
Coefficient B			1.82206e+00
Coefficient C			-1.46964e-03
Coefficient D			5.14600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.99	J/mol×K	273.00	Calculated Property
Cp,gas	327.08	J/mol×K	353.78	Calculated Property
Cp,gas	400.12	J/mol×K	434.56	Calculated Property
Cp,gas	462.73	J/mol×K	515.33	Calculated Property
Cp,gas	516.55	J/mol×K	596.11	Calculated Property
Cp,gas	563.20	J/mol×K	676.89	Calculated Property
Cp,gas	604.31	J/mol×K	757.67	Calculated Property
Cp,gas	641.50	J/mol×K	838.44	Calculated Property
Cp,gas	676.40	J/mol×K	919.22	Calculated Property
Cp,gas	710.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Spiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.