Chemical Properties of abscisic acid, Me

InChI

InChI=1S/C15H20O4/c1-11(9-13(17)19-4)5-7-15(18)8-6-12(16)10-14(15,2)3/h5-9,18H,10H2,1-4H3/b7-5+,11-9-/t15-/m0/s1

InChI Key

UKAUFLFABWQUBS-GJIHDBRLSA-N

Formula

C15H20O4

SMILES

COC(=O)C=C(C)C=CC1(O)C=CC(=O)CC1(C)C

Molecular Weight¹

264.32

• 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°	-230.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.77	kJ/mol	Joback Calculated Property
ΔfusH°	21.62	kJ/mol	Joback Calculated Property
ΔvapH°	77.17	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	1.948		Crippen Calculated Property
McVol	213.330	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[2195.00; 2196.00]
Inp	2195.00		NIST
Inp	2196.00		NIST
Inp	2195.00		NIST
Tboil	801.61	K	Joback Calculated Property
Tc	1023.64	K	Joback Calculated Property
Tfus	487.59	K	Joback Calculated Property
Vc	0.800	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[639.35; 744.38]	J/mol×K	[801.61; 1023.64]
Cp,gas	639.35	J/mol×K	801.61	Joback Calculated Property
Cp,gas	656.10	J/mol×K	838.62	Joback Calculated Property
Cp,gas	672.88	J/mol×K	875.62	Joback Calculated Property
Cp,gas	689.89	J/mol×K	912.63	Joback Calculated Property
Cp,gas	707.34	J/mol×K	949.63	Joback Calculated Property
Cp,gas	725.44	J/mol×K	986.64	Joback Calculated Property
Cp,gas	744.38	J/mol×K	1023.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to abscisic acid, Me.

Sources

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

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