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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-239.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-640.88	kJ/mol	Joback Calculated Property
ΔfusH°	27.20	kJ/mol	Joback Calculated Property
ΔvapH°	67.72	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.527		Crippen Calculated Property
McVol	230.150	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tboil	718.45	K	Joback Calculated Property
Tc	923.93	K	Joback Calculated Property
Tfus	382.83	K	Joback Calculated Property
Vc	0.869	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.69; 768.27]	J/mol×K	[718.45; 923.93]
Cp,gas	674.69	J/mol×K	718.45	Joback Calculated Property
Cp,gas	693.10	J/mol×K	752.70	Joback Calculated Property
Cp,gas	710.36	J/mol×K	786.94	Joback Calculated Property
Cp,gas	726.48	J/mol×K	821.19	Joback Calculated Property
Cp,gas	741.49	J/mol×K	855.44	Joback Calculated Property
Cp,gas	755.42	J/mol×K	889.68	Joback Calculated Property
Cp,gas	768.27	J/mol×K	923.93	Joback Calculated Property
η	[0.0001141; 0.0023659]	Pa×s	[382.83; 718.45]
η	0.0023659	Pa×s	382.83	Joback Calculated Property
η	0.0010344	Pa×s	438.77	Joback Calculated Property
η	0.0005453	Pa×s	494.70	Joback Calculated Property
η	0.0003274	Pa×s	550.64	Joback Calculated Property
η	0.0002160	Pa×s	606.58	Joback Calculated Property
η	0.0001528	Pa×s	662.51	Joback Calculated Property
η	0.0001141	Pa×s	718.45	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

• 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.