Chemical Properties of Aristol-1(10)-en-9-yl isovalerate

InChI

InChI=1S/C20H32O2/c1-12(2)10-17(21)22-16-11-15-18(19(15,4)5)20(6)13(3)8-7-9-14(16)20/h9,12-13,15-16,18H,7-8,10-11H2,1-6H3

InChI Key

ZHVACGRFWGEIFE-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CC(C)CC(=O)OC1CC2C(C2(C)C)C2(C)C1=CCCC2C

Molecular Weight¹

304.47

• 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°	25.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.36	kJ/mol	Joback Calculated Property
ΔfusH°	28.47	kJ/mol	Joback Calculated Property
ΔvapH°	66.69	kJ/mol	Joback Calculated Property
log10WS	-5.26		Crippen Calculated Property
logPoct/wat	4.983		Crippen Calculated Property
McVol	263.220	ml/mol	McGowan Calculated Property
Pc	1443.54	kPa	Joback Calculated Property
Inp	[2052.70; 2052.70]
Inp	2052.70		NIST
Inp	2052.70		NIST
Tboil	752.22	K	Joback Calculated Property
Tc	967.41	K	Joback Calculated Property
Tfus	467.46	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[845.31; 980.93]	J/mol×K	[752.22; 967.41]
Cp,gas	845.31	J/mol×K	752.22	Joback Calculated Property
Cp,gas	868.49	J/mol×K	788.08	Joback Calculated Property
Cp,gas	891.11	J/mol×K	823.95	Joback Calculated Property
Cp,gas	913.42	J/mol×K	859.81	Joback Calculated Property
Cp,gas	935.66	J/mol×K	895.68	Joback Calculated Property
Cp,gas	958.08	J/mol×K	931.54	Joback Calculated Property
Cp,gas	980.93	J/mol×K	967.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Aristol-1(10)-en-9-yl isovalerate.

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.