Chemical Properties of Monotropitoside

InChI

InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3

InChI Key

VHUNCYDAXJGCLO-UHFFFAOYSA-N

Formula

C19H26O12

SMILES

COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

Molecular Weight¹

446.40

• 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).
• 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°	-1230.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1930.79	kJ/mol	Joback Calculated Property
ΔfusH°	75.43	kJ/mol	Joback Calculated Property
ΔvapH°	182.59	kJ/mol	Joback Calculated Property
log10WS	[-0.74; -0.74]
log10WS	-0.74		Aq. Sol...
log10WS	-0.74		Estimat...
logPoct/wat	-2.885		Crippen Calculated Property
McVol	299.230	ml/mol	McGowan Calculated Property
Pc	2497.50	kPa	Joback Calculated Property
Tboil	1400.30	K	Joback Calculated Property
Tc	1902.63	K	Joback Calculated Property
Tfus	862.59	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[631.84; 1079.79]	J/mol×K	[1400.30; 1902.63]
Cp,gas	1079.79	J/mol×K	1400.30	Joback Calculated Property
Cp,gas	1040.34	J/mol×K	1484.02	Joback Calculated Property
Cp,gas	987.25	J/mol×K	1567.74	Joback Calculated Property
Cp,gas	920.19	J/mol×K	1651.47	Joback Calculated Property
Cp,gas	838.82	J/mol×K	1735.19	Joback Calculated Property
Cp,gas	742.82	J/mol×K	1818.91	Joback Calculated Property
Cp,gas	631.84	J/mol×K	1902.63	Joback Calculated Property
η	[1.3277043e-10; 2.7494958e-08]	Pa×s	[862.59; 1400.30]
η	2.7494958e-08	Pa×s	862.59	Joback Calculated Property
η	7.4399738e-09	Pa×s	952.21	Joback Calculated Property
η	2.5208914e-09	Pa×s	1041.83	Joback Calculated Property
η	1.0138978e-09	Pa×s	1131.44	Joback Calculated Property
η	4.6611964e-10	Pa×s	1221.06	Joback Calculated Property
η	2.3831620e-10	Pa×s	1310.68	Joback Calculated Property
η	1.3277043e-10	Pa×s	1400.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Monotropitoside.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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