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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8289		Relay (1.0) Calculated Property
ΔfG°	-218.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-837.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.58	kJ/mol	Joback Calculated Property
ΔvapH°	99.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) 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	622.47	K	Relay (1.0) Calculated Property
Tc	856.95	K	Relay (1.0) Calculated Property
Tfus	305.83	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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