Chemical Properties of Cyclobutane, 1,3-bis[2-(2-isopropyl-3,3-dimethyloxiran-2-yl)ethenyl]-2,4-diacetyl- (CAS 70373-02-3)

InChI

InChI=1S/C26H40O4/c1-15(2)25(23(7,8)29-25)13-11-19-21(17(5)27)20(22(19)18(6)28)12-14-26(16(3)4)24(9,10)30-26/h11-16,19-22H,1-10H3/b13-11+,14-12+

InChI Key

LPGSGNDUSMQLHZ-PHEQNACWSA-N

Formula

C26H40O4

SMILES

CC(=O)C1C(C=CC2(C(C)C)OC2(C)C)C(C(C)=O)C1C=CC1(C(C)C)OC1(C)C

Molecular Weight¹

416.59

CAS

70373-02-3

• 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°	3.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.75	kJ/mol	Joback Calculated Property
ΔfusH°	48.08	kJ/mol	Joback Calculated Property
ΔvapH°	88.88	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	5.162		Crippen Calculated Property
McVol	350.900	ml/mol	McGowan Calculated Property
Pc	1070.76	kPa	Joback Calculated Property
Inp	[2674.00; 2674.00]
Inp	2674.00		NIST
Inp	2674.00		NIST
Inp	2674.00		NIST
Tboil	965.46	K	Joback Calculated Property
Tc	1195.45	K	Joback Calculated Property
Tfus	620.32	K	Joback Calculated Property
Vc	1.343	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1286.75; 1576.49]	J/mol×K	[965.46; 1195.45]
Cp,gas	1286.75	J/mol×K	965.46	Joback Calculated Property
Cp,gas	1325.23	J/mol×K	1003.79	Joback Calculated Property
Cp,gas	1366.88	J/mol×K	1042.12	Joback Calculated Property
Cp,gas	1412.26	J/mol×K	1080.46	Joback Calculated Property
Cp,gas	1461.94	J/mol×K	1118.79	Joback Calculated Property
Cp,gas	1516.50	J/mol×K	1157.12	Joback Calculated Property
Cp,gas	1576.49	J/mol×K	1195.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane, 1,3-bis[2-(2-isopropyl-3,3-dimethyloxiran-2-yl)ethenyl]-2,4-diacetyl-.

Sources

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

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