Chemical Properties of 1,5,7-octadien-3-ol

InChI

InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h3-6,8-9H,1-2,7H2/b6-5+

InChI Key

VDZVLUMVRXPKNF-AATRIKPKSA-N

Formula

C8H12O

SMILES

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

Molecular Weight¹

124.18

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.68	kJ/mol	Joback Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
logPoct/wat	1.666		Crippen Calculated Property
McVol	116.550	ml/mol	McGowan Calculated Property
Inp	[1074.00; 1074.00]
Inp	1074.00		NIST
Inp	1074.00		NIST
Tboil	442.25	K	Relay (1.0) Calculated Property

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	[153.76; 363.66]	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			-2.09390e+01
Coefficient B			7.83700e-01
Coefficient C			-5.74600e-04
Coefficient D			1.75500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.76	J/mol×K	273.00	Calculated Property
Cp,gas	192.17	J/mol×K	353.78	Calculated Property
Cp,gas	225.52	J/mol×K	434.56	Calculated Property
Cp,gas	254.35	J/mol×K	515.33	Calculated Property
Cp,gas	279.23	J/mol×K	596.11	Calculated Property
Cp,gas	300.70	J/mol×K	676.89	Calculated Property
Cp,gas	319.32	J/mol×K	757.67	Calculated Property
Cp,gas	335.66	J/mol×K	838.44	Calculated Property
Cp,gas	350.25	J/mol×K	919.22	Calculated Property
Cp,gas	363.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1094142; 0.0001801]	Pa×s	[217.14; 454.08]	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			-1.44952e+01
Coefficient B			2.66705e+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.			217.14
Temperature range, max.			454.08
η	0.1094142	Pa×s	217.14	Calculated Property
η	0.0289906	Pa×s	243.47	Calculated Property
η	0.0099544	Pa×s	269.79	Calculated Property
η	0.0041335	Pa×s	296.12	Calculated Property
η	0.0019813	Pa×s	322.45	Calculated Property
η	0.0010612	Pa×s	348.78	Calculated Property
η	0.0006205	Pa×s	375.10	Calculated Property
η	0.0003892	Pa×s	401.43	Calculated Property
η	0.0002586	Pa×s	427.76	Calculated Property
η	0.0001801	Pa×s	454.08	Calculated Property

Similar Compounds

Find more compounds similar to 1,5,7-octadien-3-ol.

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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