Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, II

InChI

InChI=1S/C13H16O5/c1-8-5-12(18-9(2)14)10(6-11(8)16-3)7-13(15)17-4/h5-6H,7H2,1-4H3

InChI Key

GBHHNOWZVGTVDC-UHFFFAOYSA-N

Formula

C13H16O5

SMILES

COC(=O)Cc1cc(OC)c(C)cc1OC(C)=O

Molecular Weight¹

252.26

• 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°	-430.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-731.35	kJ/mol	Joback Calculated Property
ΔfusH°	29.06	kJ/mol	Joback Calculated Property
ΔvapH°	69.52	kJ/mol	Joback Calculated Property
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	1.644		Crippen Calculated Property
McVol	191.020	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	713.46	K	Joback Calculated Property
Tc	921.93	K	Joback Calculated Property
Tfus	466.80	K	Joback Calculated Property
Vc	0.722	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.45; 579.00]	J/mol×K	[713.46; 921.93]
Cp,gas	511.45	J/mol×K	713.46	Joback Calculated Property
Cp,gas	524.84	J/mol×K	748.21	Joback Calculated Property
Cp,gas	537.41	J/mol×K	782.95	Joback Calculated Property
Cp,gas	549.13	J/mol×K	817.70	Joback Calculated Property
Cp,gas	559.98	J/mol×K	852.44	Joback Calculated Property
Cp,gas	569.95	J/mol×K	887.19	Joback Calculated Property
Cp,gas	579.00	J/mol×K	921.93	Joback Calculated Property
η	[0.0001036; 0.0005577]	Pa×s	[466.80; 713.46]
η	0.0005577	Pa×s	466.80	Joback Calculated Property
η	0.0003761	Pa×s	507.91	Joback Calculated Property
η	0.0002690	Pa×s	549.02	Joback Calculated Property
η	0.0002016	Pa×s	590.13	Joback Calculated Property
η	0.0001569	Pa×s	631.24	Joback Calculated Property
η	0.0001259	Pa×s	672.35	Joback Calculated Property
η	0.0001036	Pa×s	713.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, II.

Sources

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

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