Chemical Properties of 1,5-Heptadiene-3,4-diol

InChI

InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3

InChI Key

ADXMFHMYYFZEGM-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CC(O)C(O)C=CC

Molecular Weight¹

128.17

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[154.54; 359.79]	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			-1.34300e+01
Coefficient B			7.48620e-01
Coefficient C			-5.30900e-04
Coefficient D			1.55500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.54	J/mol×K	273.00	Calculated Property
Cp,gas	191.85	J/mol×K	353.78	Calculated Property
Cp,gas	224.39	J/mol×K	434.56	Calculated Property
Cp,gas	252.65	J/mol×K	515.33	Calculated Property
Cp,gas	277.12	J/mol×K	596.11	Calculated Property
Cp,gas	298.28	J/mol×K	676.89	Calculated Property
Cp,gas	316.64	J/mol×K	757.67	Calculated Property
Cp,gas	332.68	J/mol×K	838.44	Calculated Property
Cp,gas	346.90	J/mol×K	919.22	Calculated Property
Cp,gas	359.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.4818505; 0.0000918]	Pa×s	[253.45; 500.83]	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			-1.80726e+01
Coefficient B			4.39546e+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.			253.45
Temperature range, max.			500.83
η	0.4818505	Pa×s	253.45	Calculated Property
η	0.0883092	Pa×s	280.94	Calculated Property
η	0.0219001	Pa×s	308.42	Calculated Property
η	0.0068232	Pa×s	335.91	Calculated Property
η	0.0025360	Pa×s	363.40	Calculated Property
η	0.0010833	Pa×s	390.88	Calculated Property
η	0.0005175	Pa×s	418.37	Calculated Property
η	0.0002708	Pa×s	445.86	Calculated Property
η	0.0001528	Pa×s	473.34	Calculated Property
η	0.0000918	Pa×s	500.83	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Heptadiene-3,4-diol.

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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