Chemical Properties of (1S,2R)-2-(4-allyl-2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol-rel- (CAS 52190-20-2)

InChI

InChI=1S/C23H30O7/c1-8-9-15-10-17(25-3)23(18(11-15)26-4)30-14(2)21(24)16-12-19(27-5)22(29-7)20(13-16)28-6/h8,10-14,21,24H,1,9H2,2-7H3

InChI Key

KKEKLEUWEJUCRA-UHFFFAOYSA-N

Formula

C23H30O7

SMILES

C=CCc1cc(OC)c(OC(C)C(O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1

Molecular Weight¹

418.48

CAS

52190-20-2

• 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	1.1197		Relay (1.0) Calculated Property
ΔfG°	-374.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-862.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.96	kJ/mol	Joback Calculated Property
ΔvapH°	124.93	kJ/mol	Relay (1.0) Calculated Property
IE	7.61	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	3.959		Crippen Calculated Property
McVol	324.200	ml/mol	McGowan Calculated Property
Pc	1270.06	kPa	Joback Calculated Property
Inp	[2970.90; 2970.90]
Inp	2970.90		NIST
Inp	2970.90		NIST
Tboil	709.17	K	Relay (1.0) Calculated Property
Tc	963.55	K	Relay (1.0) Calculated Property
Tfus	433.12	K	Relay (1.0) Calculated Property
Vc	1.164	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.92; 1093.11]	J/mol×K	[1031.38; 1262.70]
Cp,gas	1062.92	J/mol×K	1031.38	Joback Calculated Property
Cp,gas	1073.37	J/mol×K	1069.93	Joback Calculated Property
Cp,gas	1081.66	J/mol×K	1108.49	Joback Calculated Property
Cp,gas	1087.75	J/mol×K	1147.04	Joback Calculated Property
Cp,gas	1091.58	J/mol×K	1185.59	Joback Calculated Property
Cp,gas	1093.11	J/mol×K	1224.15	Joback Calculated Property
Cp,gas	1092.29	J/mol×K	1262.70	Joback Calculated Property
η	[0.0000015; 0.0000244]	Pa×s	[639.37; 1031.38]
η	0.0000244	Pa×s	639.37	Joback Calculated Property
η	0.0000123	Pa×s	704.71	Joback Calculated Property
η	0.0000070	Pa×s	770.04	Joback Calculated Property
η	0.0000043	Pa×s	835.38	Joback Calculated Property
η	0.0000029	Pa×s	900.71	Joback Calculated Property
η	0.0000020	Pa×s	966.05	Joback Calculated Property
η	0.0000015	Pa×s	1031.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,2R)-2-(4-allyl-2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol-rel-.

Sources

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

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