Chemical Properties of (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate

InChI

InChI=1S/C20H34O3/c1-8-17(6)19(21)23-18(13-15(3)4)14-16(5)11-10-12-20(7,22)9-2/h9,11,13,17-18,22H,2,8,10,12,14H2,1,3-7H3/b16-11+

InChI Key

GPAYZXDFRBRXPA-LFIBNONCSA-N

Formula

C20H34O3

SMILES

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

Molecular Weight¹

322.48

• 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°	-24.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-532.18	kJ/mol	Joback Calculated Property
ΔfusH°	36.48	kJ/mol	Joback Calculated Property
ΔvapH°	83.28	kJ/mol	Joback Calculated Property
log10WS	-5.86		Crippen Calculated Property
logPoct/wat	4.964		Crippen Calculated Property
McVol	293.070	ml/mol	McGowan Calculated Property
Pc	1267.35	kPa	Joback Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
I	2562.00		NIST
Tboil	826.12	K	Joback Calculated Property
Tc	1019.49	K	Joback Calculated Property
Tfus	380.72	K	Joback Calculated Property
Vc	1.119	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.31; 997.48]	J/mol×K	[826.12; 1019.49]
Cp,gas	909.31	J/mol×K	826.12	Joback Calculated Property
Cp,gas	925.90	J/mol×K	858.35	Joback Calculated Property
Cp,gas	941.65	J/mol×K	890.58	Joback Calculated Property
Cp,gas	956.60	J/mol×K	922.81	Joback Calculated Property
Cp,gas	970.85	J/mol×K	955.03	Joback Calculated Property
Cp,gas	984.45	J/mol×K	987.26	Joback Calculated Property
Cp,gas	997.48	J/mol×K	1019.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.