Chemical Properties of methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate (CAS 18444-89-8)

InChI

InChI=1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3

InChI Key

DZVKVIGAEDEAIN-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

C=C1C2CCC(C(=O)OC)C23CCC(C3)C1(C)C

Molecular Weight¹

248.36

CAS

18444-89-8

Other Names

• Methyl ziza-6(13)-en-12-oate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	34.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-338.25	kJ/mol	Joback Calculated Property
ΔfusH°	18.57	kJ/mol	Joback Calculated Property
ΔvapH°	57.69	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.568		Crippen Calculated Property
McVol	206.860	ml/mol	McGowan Calculated Property
Pc	2019.95	kPa	Joback Calculated Property
Inp	[1696.00; 1738.70]
Inp	1738.70		NIST
Inp	1696.00		NIST
Inp	1696.00		NIST
Tboil	660.83	K	Joback Calculated Property
Tc	885.02	K	Joback Calculated Property
Tfus	442.02	K	Joback Calculated Property
Vc	0.788	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[612.62; 729.26]	J/mol×K	[660.83; 885.02]
Cp,gas	612.62	J/mol×K	660.83	Joback Calculated Property
Cp,gas	633.51	J/mol×K	698.19	Joback Calculated Property
Cp,gas	653.46	J/mol×K	735.56	Joback Calculated Property
Cp,gas	672.74	J/mol×K	772.92	Joback Calculated Property
Cp,gas	691.62	J/mol×K	810.29	Joback Calculated Property
Cp,gas	710.37	J/mol×K	847.65	Joback Calculated Property
Cp,gas	729.26	J/mol×K	885.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate.

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.