Chemical Properties of (2R,3R)-2,3-Bis[(3-(acetyl)oxyphenyl)methyl]butane-1,4-diol, diacetate

InChI

InChI=1S/C26H30O8/c1-17(27)31-15-23(11-21-7-5-9-25(13-21)33-19(3)29)24(16-32-18(2)28)12-22-8-6-10-26(14-22)34-20(4)30/h5-10,13-14,23-24H,11-12,15-16H2,1-4H3

InChI Key

JQSSCWWDRPKOGE-UHFFFAOYSA-N

Formula

C26H30O8

SMILES

CC(=O)OCC(Cc1cccc(OC(C)=O)c1)C(COC(C)=O)Cc1cccc(OC(C)=O)c1

Molecular Weight¹

470.51

Other Names

• Enterodiol, tetra(acetate)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	1.0892		Relay (... Calculated Property
ΔfG°	-566.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1333.05	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.50	kJ/mol	Joback Calculated Property
ΔvapH°	145.85	kJ/mol	Relay (... Calculated Property
IE	8.02	eV	Relay (... Calculated Property
log10WS	-4.52		Relay (... Calculated Property
logPoct/wat	3.681		Crippen Calculated Property
McVol	359.440	ml/mol	McGowan Calculated Property
Pc	1203.96	kPa	Joback Calculated Property
Inp	[3101.00; 3101.00]
Inp	3101.00		NIST
Inp	3101.00		NIST
Tboil	732.86	K	Relay (... Calculated Property
Tc	961.66	K	Relay (... Calculated Property
Tfus	356.31	K	Relay (... Calculated Property
Vc	1.278	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1183.02; 1197.18]	J/mol×K	[1161.88; 1423.50]
Cp,gas	1189.45	J/mol×K	1161.88	Joback Calculated Property
Cp,gas	1194.49	J/mol×K	1205.48	Joback Calculated Property
Cp,gas	1197.06	J/mol×K	1249.09	Joback Calculated Property
Cp,gas	1197.18	J/mol×K	1292.69	Joback Calculated Property
Cp,gas	1194.86	J/mol×K	1336.29	Joback Calculated Property
Cp,gas	1190.13	J/mol×K	1379.89	Joback Calculated Property
Cp,gas	1183.02	J/mol×K	1423.50	Joback Calculated Property
η	[0.0000093; 0.0000897]	Pa×s	[719.30; 1161.88]
η	0.0000897	Pa×s	719.30	Joback Calculated Property
η	0.0000516	Pa×s	793.06	Joback Calculated Property
η	0.0000326	Pa×s	866.83	Joback Calculated Property
η	0.0000222	Pa×s	940.59	Joback Calculated Property
η	0.0000159	Pa×s	1014.35	Joback Calculated Property
η	0.0000120	Pa×s	1088.12	Joback Calculated Property
η	0.0000093	Pa×s	1161.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2R,3R)-2,3-Bis[(3-(acetyl)oxyphenyl)methyl]butane-1,4-diol, diacetate.

Sources

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

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