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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.01	kJ/mol	Joback Calculated Property
ΔvapH°	113.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.48	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	4.459		Crippen Calculated Property
McVol	298.370	ml/mol	McGowan Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	688.99	K	Relay (1.0) Calculated Property
Tfus	375.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[923.26; 993.99]	J/mol×K	[889.56; 1105.00]
Cp,gas	923.26	J/mol×K	889.56	Joback Calculated Property
Cp,gas	938.95	J/mol×K	925.47	Joback Calculated Property
Cp,gas	953.11	J/mol×K	961.37	Joback Calculated Property
Cp,gas	965.71	J/mol×K	997.28	Joback Calculated Property
Cp,gas	976.74	J/mol×K	1033.18	Joback Calculated Property
Cp,gas	986.17	J/mol×K	1069.09	Joback Calculated Property
Cp,gas	993.99	J/mol×K	1105.00	Joback Calculated Property
η	[0.0000203; 0.0001426]	Pa×s	[547.53; 889.56]
η	0.0001426	Pa×s	547.53	Joback Calculated Property
η	0.0000884	Pa×s	604.53	Joback Calculated Property
η	0.0000595	Pa×s	661.54	Joback Calculated Property
η	0.0000427	Pa×s	718.54	Joback Calculated Property
η	0.0000321	Pa×s	775.55	Joback Calculated Property
η	0.0000251	Pa×s	832.55	Joback Calculated Property
η	0.0000203	Pa×s	889.56	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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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