Chemical Properties of HANPHYLLIN

InChI

InChI=1S/C15H20O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5-,10-8-

InChI Key

XQVSREKNQZKAKU-MUDDOMJDSA-N

Formula

C15H20O3

SMILES

C=C1C(=O)OC2/C=C(\C)C(O)C/C=C(\C)CCC12

Molecular Weight¹

248.32

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.41	kJ/mol	Joback Calculated Property
logPoct/wat	2.522		Crippen Calculated Property
McVol	200.900	ml/mol	McGowan Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.11; 694.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.37500e+01
Coefficient B			1.28684e+00
Coefficient C			-6.29080e-04
Coefficient D			7.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.11	J/mol×K	273.00	Calculated Property
Cp,gas	345.89	J/mol×K	353.78	Calculated Property
Cp,gas	412.44	J/mol×K	434.56	Calculated Property
Cp,gas	471.97	J/mol×K	515.33	Calculated Property
Cp,gas	524.72	J/mol×K	596.11	Calculated Property
Cp,gas	570.90	J/mol×K	676.89	Calculated Property
Cp,gas	610.74	J/mol×K	757.67	Calculated Property
Cp,gas	644.45	J/mol×K	838.44	Calculated Property
Cp,gas	672.27	J/mol×K	919.22	Calculated Property
Cp,gas	694.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017073; 0.0001046]	Pa×s	[416.24; 656.84]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39963e+01
Coefficient B			3.17317e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			416.24
Temperature range, max.			656.84
η	0.0017073	Pa×s	416.24	Calculated Property
η	0.0010777	Pa×s	442.97	Calculated Property
η	0.0007169	Pa×s	469.71	Calculated Property
η	0.0004982	Pa×s	496.44	Calculated Property
η	0.0003594	Pa×s	523.17	Calculated Property
η	0.0002676	Pa×s	549.91	Calculated Property
η	0.0002048	Pa×s	576.64	Calculated Property
η	0.0001605	Pa×s	603.37	Calculated Property
η	0.0001284	Pa×s	630.11	Calculated Property
η	0.0001046	Pa×s	656.84	Calculated Property

Similar Compounds

Find more compounds similar to HANPHYLLIN.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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