Chemical Properties of 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester (CAS 19427-33-9)

InChI

InChI=1S/C22H30O5/c1-13-10-22-11-14(13)6-7-15(22)21(12-23)9-5-8-20(2,19(25)27-4)17(21)16(22)18(24)26-3/h12,14-17H,1,5-11H2,2-4H3

InChI Key

CDZKHHKZGGMPOC-UHFFFAOYSA-N

Formula

C22H30O5

SMILES

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

Molecular Weight¹

374.47

CAS

19427-33-9

Other Names

• Dimethyl 4a-formyl-1-methyl-8-methylenegibbane-1,10-dicarboxylate, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-
• GA24, Me

• 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°	-212.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-730.93	kJ/mol	Joback Calculated Property
ΔfusH°	30.00	kJ/mol	Joback Calculated Property
ΔvapH°	85.55	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.317		Crippen Calculated Property
McVol	289.550	ml/mol	McGowan Calculated Property
Pc	1582.23	kPa	Joback Calculated Property
Inp	[2440.00; 2477.00]
Inp	2453.00		NIST
Inp	2448.00		NIST
Inp	2454.00		NIST
Inp	2451.00		NIST
Inp	2453.00		NIST
Inp	2453.00		NIST
Inp	2444.00		NIST
Inp	2444.00		NIST
Inp	2469.00		NIST
Inp	2440.00		NIST
Inp	2441.00		NIST
Inp	2441.00		NIST
Inp	Outlier 2477.00		NIST
Inp	2443.00		NIST
Inp	2443.00		NIST
Inp	2444.00		NIST
Inp	2453.00		NIST
Tboil	929.64	K	Joback Calculated Property
Tc	1164.39	K	Joback Calculated Property
Tfus	657.88	K	Joback Calculated Property
Vc	1.111	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.61; 1247.07]	J/mol×K	[929.64; 1164.39]
Cp,gas	1041.61	J/mol×K	929.64	Joback Calculated Property
Cp,gas	1070.38	J/mol×K	968.77	Joback Calculated Property
Cp,gas	1100.77	J/mol×K	1007.89	Joback Calculated Property
Cp,gas	1133.19	J/mol×K	1047.02	Joback Calculated Property
Cp,gas	1168.10	J/mol×K	1086.14	Joback Calculated Property
Cp,gas	1205.91	J/mol×K	1125.27	Joback Calculated Property
Cp,gas	1247.07	J/mol×K	1164.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.