Chemical Properties of (E)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl formate (CAS 352457-47-7)

InChI

InChI=1S/C16H24O2/c1-12(10-18-11-17)14-7-8-15-6-4-5-13(2)16(15,3)9-14/h6,11,13H,4-5,7-10H2,1-3H3/b14-12+

InChI Key

SAHHFGUGGFKBSR-WYMLVPIESA-N

Formula

C16H24O2

SMILES

CC(COC=O)=C1CCC2=CCCC(C)C2(C)C1

Molecular Weight¹

248.36

CAS

352457-47-7

Other Names

• Isovalencenyl formate
• (E)-Eremophila-1(10),7(11)-dien-12-yl formate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	24.66	kJ/mol	Joback Calculated Property
logPoct/wat	4.022		Crippen Calculated Property
McVol	213.420	ml/mol	McGowan Calculated Property
Inp	[1800.00; 1800.00]
Inp	1800.00		NIST
Inp	1800.00		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	[591.16; 694.20]	J/mol×K	[664.66; 886.11]
Cp,gas	591.16	J/mol×K	664.66	Joback Calculated Property
Cp,gas	610.44	J/mol×K	701.57	Joback Calculated Property
Cp,gas	628.65	J/mol×K	738.48	Joback Calculated Property
Cp,gas	645.94	J/mol×K	775.39	Joback Calculated Property
Cp,gas	662.52	J/mol×K	812.29	Joback Calculated Property
Cp,gas	678.55	J/mol×K	849.20	Joback Calculated Property
Cp,gas	694.20	J/mol×K	886.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl formate.

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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