Chemical Properties of [2H2]Gibberellin A9-Me

InChI

InChI=1S/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3/t12?,13-,14-,15-,18-,19+,20-/m0/s1

InChI Key

GKRMJALKMNRHGF-RKWHRFJJSA-N

Formula

C20H26O4

SMILES

C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

330.42

• 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	0.5256		Relay (1.0) Calculated Property
ΔfG°	-24.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-671.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.40	kJ/mol	Joback Calculated Property
ΔvapH°	102.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	3.254		Crippen Calculated Property
McVol	248.940	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
Inp	[2295.00; 2367.00]
Inp	2341.00		NIST
Inp	2302.00		NIST
Inp	2365.00		NIST
Inp	2367.00		NIST
Inp	2312.00		NIST
Inp	2318.00		NIST
Inp	2321.00		NIST
Inp	2295.00		NIST
Inp	2295.00		NIST
Inp	2302.00		NIST
Inp	2321.00		NIST
Tboil	638.65	K	Relay (1.0) Calculated Property
Tc	933.43	K	Relay (1.0) Calculated Property
Tfus	377.61	K	Relay (1.0) Calculated Property
Vc	0.919	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.72; 1080.84]	J/mol×K	[860.84; 1110.66]
Cp,gas	885.72	J/mol×K	860.84	Joback Calculated Property
Cp,gas	912.88	J/mol×K	902.48	Joback Calculated Property
Cp,gas	941.45	J/mol×K	944.11	Joback Calculated Property
Cp,gas	971.97	J/mol×K	985.75	Joback Calculated Property
Cp,gas	1005.00	J/mol×K	1027.39	Joback Calculated Property
Cp,gas	1041.11	J/mol×K	1069.03	Joback Calculated Property
Cp,gas	1080.84	J/mol×K	1110.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2H2]Gibberellin A9-Me.

Sources

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

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