Chemical Properties of (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

InChI

InChI=1S/C19H32O3/c1-8-19(7,21)11-9-10-16(6)13-17(12-14(2)3)22-18(20)15(4)5/h8,10,12,15,17,21H,1,9,11,13H2,2-7H3/b16-10+

InChI Key

FSIHKFFUYHQELZ-MHWRWJLKSA-N

Formula

C19H32O3

SMILES

C=CC(C)(O)CCC=C(C)CC(C=C(C)C)OC(=O)C(C)C

Molecular Weight¹

308.46

Other Names

• 3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl isobutyrate

• 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.
• I : 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°	-32.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-511.54	kJ/mol	Joback Calculated Property
ΔfusH°	33.88	kJ/mol	Joback Calculated Property
ΔvapH°	81.06	kJ/mol	Joback Calculated Property
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	4.574		Crippen Calculated Property
McVol	278.980	ml/mol	McGowan Calculated Property
Pc	1358.63	kPa	Joback Calculated Property
Inp	[1881.00; 1882.00]
Inp	1881.00		NIST
Inp	1882.00		NIST
Inp	1881.00		NIST
I	[2475.00; 2485.00]
I	2475.00		NIST
I	2485.00		NIST
I	2475.00		NIST
Tboil	803.24	K	Joback Calculated Property
Tc	995.43	K	Joback Calculated Property
Tfus	369.45	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.50; 936.31]	J/mol×K	[803.24; 995.43]
Cp,gas	850.50	J/mol×K	803.24	Joback Calculated Property
Cp,gas	866.69	J/mol×K	835.27	Joback Calculated Property
Cp,gas	882.03	J/mol×K	867.30	Joback Calculated Property
Cp,gas	896.60	J/mol×K	899.34	Joback Calculated Property
Cp,gas	910.46	J/mol×K	931.37	Joback Calculated Property
Cp,gas	923.67	J/mol×K	963.40	Joback Calculated Property
Cp,gas	936.31	J/mol×K	995.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate.

Sources

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

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