Chemical Properties of GA24, Methylated

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/t14?,15-,16+,17+,20+,21?,22-/m1/s1

InChI Key

CDZKHHKZGGMPOC-ULEKDHROSA-N

Formula

C22H30O5

SMILES

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

Molecular Weight¹

374.47

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5902		Relay (... Calculated Property
ΔfG°	-212.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-814.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.00	kJ/mol	Joback Calculated Property
ΔvapH°	110.87	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-4.16		Relay (... 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	[2447.00; 2448.00]
Inp	2447.00		NIST
Inp	2447.00		NIST
Inp	2448.00		NIST
Tboil	651.04	K	Relay (... Calculated Property
Tc	953.22	K	Relay (... Calculated Property
Tfus	378.70	K	Relay (... Calculated Property
Vc	1.007	m3/kmol	Relay (... 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 GA24, Methylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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