Chemical Properties of 1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-diyl diacetate (CAS 135308-88-2)

InChI

InChI=1S/C25H32O8/c1-16(26)32-20(9-5-18-7-11-22(28)24(13-18)30-3)15-21(33-17(2)27)10-6-19-8-12-23(29)25(14-19)31-4/h7-8,11-14,20-21,28-29H,5-6,9-10,15H2,1-4H3

InChI Key

DRDZHMFYPWLHJH-UHFFFAOYSA-N

Formula

C25H32O8

SMILES

COc1cc(CCC(CC(CCc2ccc(O)c(OC)c2)OC(C)=O)OC(C)=O)ccc1O

Molecular Weight¹

460.52

CAS

135308-88-2

• 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	1.2544		Relay (1.0) Calculated Property
ΔfG°	-626.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1310.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.28	kJ/mol	Joback Calculated Property
ΔvapH°	163.50	kJ/mol	Relay (1.0) Calculated Property
IE	7.62	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.934		Crippen Calculated Property
McVol	353.950	ml/mol	McGowan Calculated Property
Pc	1463.49	kPa	Joback Calculated Property
Inp	[3340.30; 3340.30]
Inp	3340.30		NIST
Inp	3340.30		NIST
Tboil	706.01	K	Relay (1.0) Calculated Property
Tc	1001.17	K	Relay (1.0) Calculated Property
Tfus	395.26	K	Relay (1.0) Calculated Property
Vc	1.261	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1240.78; 1329.52]	J/mol×K	[1192.50; 1461.30]
Cp,gas	1240.78	J/mol×K	1192.50	Joback Calculated Property
Cp,gas	1256.32	J/mol×K	1237.30	Joback Calculated Property
Cp,gas	1271.33	J/mol×K	1282.10	Joback Calculated Property
Cp,gas	1285.99	J/mol×K	1326.90	Joback Calculated Property
Cp,gas	1300.46	J/mol×K	1371.70	Joback Calculated Property
Cp,gas	1314.91	J/mol×K	1416.50	Joback Calculated Property
Cp,gas	1329.52	J/mol×K	1461.30	Joback Calculated Property
η	[6.3547265e-09; 0.0000002]	Pa×s	[831.61; 1192.50]
η	0.0000002	Pa×s	831.61	Joback Calculated Property
η	7.4636808e-08	Pa×s	891.76	Joback Calculated Property
η	4.0262509e-08	Pa×s	951.91	Joback Calculated Property
η	2.3372776e-08	Pa×s	1012.05	Joback Calculated Property
η	1.4421796e-08	Pa×s	1072.20	Joback Calculated Property
η	9.3670998e-09	Pa×s	1132.35	Joback Calculated Property
η	6.3547265e-09	Pa×s	1192.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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