Chemical Properties of (S)-5-Allyl-1,3-dimethoxy-2-((1-(3,4,5-trimethoxyphenyl)propan-2-yl)oxy)benzene (CAS 836632-58-7)

InChI

InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8,11-15H,1,9-10H2,2-7H3/t15-/m1/s1

InChI Key

ZOPUPXKPXCSWAE-OAHLLOKOSA-N

Formula

C23H30O6

SMILES

C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1

Molecular Weight¹

402.48

CAS

836632-58-7

• 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	0.9919		Relay (1.0) Calculated Property
ΔfG°	-234.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.40	kJ/mol	Joback Calculated Property
ΔvapH°	113.46	kJ/mol	Relay (1.0) Calculated Property
IE	7.44	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	4.468		Crippen Calculated Property
McVol	318.330	ml/mol	McGowan Calculated Property
Pc	1184.16	kPa	Joback Calculated Property
Inp	[2766.30; 2766.30]
Inp	2766.30		NIST
Inp	2766.30		NIST
Tboil	698.64	K	Relay (1.0) Calculated Property
Tc	923.62	K	Relay (1.0) Calculated Property
Tfus	390.35	K	Relay (1.0) Calculated Property
Vc	1.154	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1010.52; 1069.83]	J/mol×K	[939.64; 1157.63]
Cp,gas	1010.52	J/mol×K	939.64	Joback Calculated Property
Cp,gas	1025.03	J/mol×K	975.97	Joback Calculated Property
Cp,gas	1037.76	J/mol×K	1012.30	Joback Calculated Property
Cp,gas	1048.64	J/mol×K	1048.63	Joback Calculated Property
Cp,gas	1057.64	J/mol×K	1084.97	Joback Calculated Property
Cp,gas	1064.72	J/mol×K	1121.30	Joback Calculated Property
Cp,gas	1069.83	J/mol×K	1157.63	Joback Calculated Property
η	[0.0000136; 0.0000841]	Pa×s	[593.55; 939.64]
η	0.0000841	Pa×s	593.55	Joback Calculated Property
η	0.0000542	Pa×s	651.23	Joback Calculated Property
η	0.0000375	Pa×s	708.91	Joback Calculated Property
η	0.0000275	Pa×s	766.60	Joback Calculated Property
η	0.0000210	Pa×s	824.28	Joback Calculated Property
η	0.0000166	Pa×s	881.96	Joback Calculated Property
η	0.0000136	Pa×s	939.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to (S)-5-Allyl-1,3-dimethoxy-2-((1-(3,4,5-trimethoxyphenyl)propan-2-yl)oxy)benzene.

Sources

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

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