Chemical Properties of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [R-(R*,R*)]- (CAS 17904-27-7)

InChI

InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3

InChI Key

IIWNDLDEVPJIBT-UHFFFAOYSA-N

Formula

C16H26O3

SMILES

COC(=O)C1=CCC(C(C)CC(=O)CC(C)C)CC1

Molecular Weight¹

266.38

CAS

17904-27-7

Other Names

• 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (1R,4R)-(+)-
• (+)-Juvabione
• Juvabione
• Juvabionine

• 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°	28.79	kJ/mol	Joback Calculated Property
logPoct/wat	3.527		Crippen Calculated Property
McVol	230.150	ml/mol	McGowan Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		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	[667.76; 762.70]	J/mol×K	[700.58; 904.09]
Cp,gas	667.76	J/mol×K	700.58	Joback Calculated Property
Cp,gas	686.48	J/mol×K	734.50	Joback Calculated Property
Cp,gas	704.02	J/mol×K	768.42	Joback Calculated Property
Cp,gas	720.38	J/mol×K	802.33	Joback Calculated Property
Cp,gas	735.60	J/mol×K	836.25	Joback Calculated Property
Cp,gas	749.70	J/mol×K	870.17	Joback Calculated Property
Cp,gas	762.70	J/mol×K	904.09	Joback Calculated Property
η	[0.0001021; 0.0034565]	Pa×s	[353.00; 700.58]
η	0.0034565	Pa×s	353.00	Joback Calculated Property
η	0.0012707	Pa×s	410.93	Joback Calculated Property
η	0.0005982	Pa×s	468.86	Joback Calculated Property
η	0.0003323	Pa×s	526.79	Joback Calculated Property
η	0.0002075	Pa×s	584.72	Joback Calculated Property
η	0.0001410	Pa×s	642.65	Joback Calculated Property
η	0.0001021	Pa×s	700.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [R-(R*,R*)]-.

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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