Chemical Properties of 1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene (CAS 16729-00-3)

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-13H,5-8H2,1-4H3

InChI Key

ULTBCADWJVQRCF-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CC2=C(CC1)C(C)CCC2C(C)C

Molecular Weight¹

204.35

CAS

16729-00-3

Other Names

• Cadina-1(6),4-diene
• Naphthalene, 1,2,3,4,5,6-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
• 7«alpha»H,10«beta»H-Cadina-1(6),4-diene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.23	kJ/mol	Joback Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1463.00; 1481.30]
Inp	1481.30		NIST
Inp	1463.00		NIST
Inp	1472.00		NIST
Inp	1463.00		NIST
Inp	1481.30		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.23; 617.03]	J/mol×K	[585.98; 802.43]
Cp,gas	503.23	J/mol×K	585.98	Joback Calculated Property
Cp,gas	525.21	J/mol×K	622.06	Joback Calculated Property
Cp,gas	545.92	J/mol×K	658.13	Joback Calculated Property
Cp,gas	565.40	J/mol×K	694.21	Joback Calculated Property
Cp,gas	583.72	J/mol×K	730.28	Joback Calculated Property
Cp,gas	600.91	J/mol×K	766.36	Joback Calculated Property
Cp,gas	617.03	J/mol×K	802.43	Joback Calculated Property
η	[0.0002988; 0.0020981]	Pa×s	[304.69; 585.98]
η	0.0020981	Pa×s	304.69	Joback Calculated Property
η	0.0012209	Pa×s	351.57	Joback Calculated Property
η	0.0008070	Pa×s	398.45	Joback Calculated Property
η	0.0005820	Pa×s	445.34	Joback Calculated Property
η	0.0004467	Pa×s	492.22	Joback Calculated Property
η	0.0003590	Pa×s	539.10	Joback Calculated Property
η	0.0002988	Pa×s	585.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene.

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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