Chemical Properties of 1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate

InChI

InChI=1S/C27H36O8/c1-18(28)34-22(11-7-20-9-13-24(30-3)26(15-20)32-5)17-23(35-19(2)29)12-8-21-10-14-25(31-4)27(16-21)33-6/h9-10,13-16,22-23H,7-8,11-12,17H2,1-6H3

InChI Key

HHLUMCLAOIMUOP-UHFFFAOYSA-N

Formula

C27H36O8

SMILES

COc1ccc(CCC(CC(CCc2ccc(OC)c(OC)c2)OC(C)=O)OC(C)=O)cc1OC

Molecular Weight¹

488.57

• 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).
• 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°	-529.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1202.47	kJ/mol	Joback Calculated Property
ΔfusH°	55.49	kJ/mol	Joback Calculated Property
ΔvapH°	110.07	kJ/mol	Joback Calculated Property
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	4.540		Crippen Calculated Property
McVol	382.130	ml/mol	McGowan Calculated Property
Pc	996.39	kPa	Joback Calculated Property
Inp	[3347.30; 3347.30]
Inp	3347.30		NIST
Inp	3347.30		NIST
Tboil	1131.82	K	Joback Calculated Property
Tc	1388.55	K	Joback Calculated Property
Tfus	700.21	K	Joback Calculated Property
Vc	1.440	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1284.92; 1303.07]	J/mol×K	[1131.82; 1388.55]
Cp,gas	1292.59	J/mol×K	1131.82	Joback Calculated Property
Cp,gas	1299.20	J/mol×K	1174.61	Joback Calculated Property
Cp,gas	1302.71	J/mol×K	1217.40	Joback Calculated Property
Cp,gas	1303.07	J/mol×K	1260.19	Joback Calculated Property
Cp,gas	1300.26	J/mol×K	1302.97	Joback Calculated Property
Cp,gas	1294.22	J/mol×K	1345.76	Joback Calculated Property
Cp,gas	1284.92	J/mol×K	1388.55	Joback Calculated Property
η	[0.0000053; 0.0000469]	Pa×s	[700.21; 1131.82]
η	0.0000469	Pa×s	700.21	Joback Calculated Property
η	0.0000275	Pa×s	772.14	Joback Calculated Property
η	0.0000177	Pa×s	844.08	Joback Calculated Property
η	0.0000121	Pa×s	916.01	Joback Calculated Property
η	0.0000088	Pa×s	987.95	Joback Calculated Property
η	0.0000067	Pa×s	1059.88	Joback Calculated Property
η	0.0000053	Pa×s	1131.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate.

Sources

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

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