Chemical Properties of 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester (CAS 22882-62-8)

InChI

InChI=1S/C22H32O4/c1-13-11-22-12-14(13)7-8-15(22)20(2)9-6-10-21(3,19(24)26-5)17(20)16(22)18(23)25-4/h14-17H,1,6-12H2,2-5H3

InChI Key

PWWAKLGQWQLLIY-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

C=C1CC23CC1CCC2C1(C)CCCC(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

360.49

CAS

22882-62-8

Other Names

• Dimethyl 1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylate, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-
• GA12, Me
• GA12 methyl ester

• 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°	-113.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.35	kJ/mol	Joback Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	78.83	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	4.137		Crippen Calculated Property
McVol	287.980	ml/mol	McGowan Calculated Property
Pc	1493.04	kPa	Joback Calculated Property
Inp	[2323.00; 2371.00]
Inp	2346.00		NIST
Inp	2329.00		NIST
Inp	2328.00		NIST
Inp	2329.00		NIST
Inp	2331.00		NIST
Inp	2331.00		NIST
Inp	2335.00		NIST
Inp	2335.00		NIST
Inp	2359.00		NIST
Inp	2333.00		NIST
Inp	2345.00		NIST
Inp	2326.00		NIST
Inp	2326.00		NIST
Inp	2323.00		NIST
Inp	2332.00		NIST
Inp	2326.00		NIST
Inp	2360.00		NIST
Inp	2359.00		NIST
Inp	2324.00		NIST
Inp	2324.00		NIST
Inp	2359.00		NIST
Inp	2361.00		NIST
Inp	2371.00		NIST
Inp	2344.00		NIST
Inp	2348.00		NIST
Inp	2369.00		NIST
Inp	2331.00		NIST
Inp	2360.00		NIST
Inp	2361.00		NIST
Inp	2331.00		NIST
Inp	2346.00		NIST
Tboil	880.98	K	Joback Calculated Property
Tc	1113.24	K	Joback Calculated Property
Tfus	615.88	K	Joback Calculated Property
Vc	1.095	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.49; 1205.18]	J/mol×K	[880.98; 1113.24]
Cp,gas	1014.49	J/mol×K	880.98	Joback Calculated Property
Cp,gas	1042.28	J/mol×K	919.69	Joback Calculated Property
Cp,gas	1071.10	J/mol×K	958.40	Joback Calculated Property
Cp,gas	1101.38	J/mol×K	997.11	Joback Calculated Property
Cp,gas	1133.54	J/mol×K	1035.82	Joback Calculated Property
Cp,gas	1168.00	J/mol×K	1074.53	Joback Calculated Property
Cp,gas	1205.18	J/mol×K	1113.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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