Chemical Properties of 10-Isobutyryloxy-8,9-epoxythymyl angelate

InChI

InChI=1S/C20H26O5/c1-6-15(5)19(22)25-17-10-14(4)7-8-16(17)20(12-24-20)11-23-18(21)9-13(2)3/h6-8,10,13H,9,11-12H2,1-5H3/b15-6-

InChI Key

APUXZTFWNUSAOP-UUASQNMZSA-N

Formula

C20H26O5

SMILES

CC=C(C)C(=O)Oc1cc(C)ccc1C1(COC(=O)CC(C)C)CO1

Molecular Weight¹

346.42

• 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°	-218.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.95	kJ/mol	Joback Calculated Property
ΔfusH°	41.58	kJ/mol	Joback Calculated Property
ΔvapH°	84.95	kJ/mol	Joback Calculated Property
log10WS	-4.46		Crippen Calculated Property
logPoct/wat	3.681		Crippen Calculated Property
McVol	274.490	ml/mol	McGowan Calculated Property
Pc	1582.23	kPa	Joback Calculated Property
Inp	[2130.00; 2130.00]
Inp	2130.00		NIST
Inp	2130.00		NIST
I	[2808.00; 2808.00]
I	2808.00		NIST
I	2808.00		NIST
Tboil	883.75	K	Joback Calculated Property
Tc	1105.58	K	Joback Calculated Property
Tfus	545.31	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[863.04; 967.65]	J/mol×K	[883.75; 1105.58]
Cp,gas	863.04	J/mol×K	883.75	Joback Calculated Property
Cp,gas	880.75	J/mol×K	920.72	Joback Calculated Property
Cp,gas	898.14	J/mol×K	957.69	Joback Calculated Property
Cp,gas	915.37	J/mol×K	994.66	Joback Calculated Property
Cp,gas	932.59	J/mol×K	1031.64	Joback Calculated Property
Cp,gas	949.97	J/mol×K	1068.61	Joback Calculated Property
Cp,gas	967.65	J/mol×K	1105.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 10-Isobutyryloxy-8,9-epoxythymyl angelate.

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.