Chemical Properties of (S)-5-Allyl-2-((1-(3,4-dimethoxyphenyl)propan-2-yl)oxy)-1,3-dimethoxybenzene (CAS 1246343-70-3)

InChI

InChI=1S/C22H28O5/c1-7-8-16-13-20(25-5)22(21(14-16)26-6)27-15(2)11-17-9-10-18(23-3)19(12-17)24-4/h7,9-10,12-15H,1,8,11H2,2-6H3/t15-/m1/s1

InChI Key

RZMDLBAIWHLFEF-OAHLLOKOSA-N

Formula

C22H28O5

SMILES

C=CCc1cc(OC)c(OC(C)Cc2ccc(OC)c(OC)c2)c(OC)c1

Molecular Weight¹

372.45

CAS

1246343-70-3

• 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°	-128.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-622.65	kJ/mol	Joback Calculated Property
ΔfusH°	40.01	kJ/mol	Joback Calculated Property
ΔvapH°	83.42	kJ/mol	Joback Calculated Property
log10WS	-5.71		Crippen Calculated Property
logPoct/wat	4.459		Crippen Calculated Property
McVol	298.370	ml/mol	McGowan Calculated Property
Pc	1295.79	kPa	Joback Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	889.36	K	Joback Calculated Property
Tc	1104.75	K	Joback Calculated Property
Tfus	547.53	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[923.17; 993.94]	J/mol×K	[889.36; 1104.75]
Cp,gas	923.17	J/mol×K	889.36	Joback Calculated Property
Cp,gas	938.86	J/mol×K	925.26	Joback Calculated Property
Cp,gas	953.03	J/mol×K	961.16	Joback Calculated Property
Cp,gas	965.64	J/mol×K	997.05	Joback Calculated Property
Cp,gas	976.67	J/mol×K	1032.95	Joback Calculated Property
Cp,gas	986.12	J/mol×K	1068.85	Joback Calculated Property
Cp,gas	993.94	J/mol×K	1104.75	Joback Calculated Property
η	[0.0000203; 0.0001426]	Pa×s	[547.53; 889.36]
η	0.0001426	Pa×s	547.53	Joback Calculated Property
η	0.0000884	Pa×s	604.50	Joback Calculated Property
η	0.0000595	Pa×s	661.47	Joback Calculated Property
η	0.0000427	Pa×s	718.45	Joback Calculated Property
η	0.0000321	Pa×s	775.42	Joback Calculated Property
η	0.0000252	Pa×s	832.39	Joback Calculated Property
η	0.0000203	Pa×s	889.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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