Chemical Properties of nerylacetol [6,10-dimethyl-(Z)-5,9-undecadien-2-ol]

InChI

InChI=1S/C14H26O/c1-11(2)7-6-8-12(3)13(4)9-10-14(5)15/h7,14-15H,6,8-10H2,1-5H3/b13-12-

InChI Key

JWAKIRUDIWHFGT-SEYXRHQNSA-N

Formula

C14H26O

SMILES

CC(C)=CCCC(C)=C(C)CCC(C)O

Molecular Weight¹

210.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-366.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.05	kJ/mol	Joback Calculated Property
ΔvapH°	86.90	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	4.230		Crippen Calculated Property
McVol	205.390	ml/mol	McGowan Calculated Property
I	[1930.00; 1930.00]
I	1930.00		NIST
I	1930.00		NIST
Tboil	543.24	K	Relay (1.0) Calculated Property
Tfus	264.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[287.11; 698.83]	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			-3.36660e+01
Coefficient B			1.41350e+00
Coefficient C			-9.45900e-04
Coefficient D			2.64900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.11	J/mol×K	273.00	Calculated Property
Cp,gas	359.74	J/mol×K	353.78	Calculated Property
Cp,gas	423.69	J/mol×K	434.56	Calculated Property
Cp,gas	479.81	J/mol×K	515.33	Calculated Property
Cp,gas	528.93	J/mol×K	596.11	Calculated Property
Cp,gas	571.88	J/mol×K	676.89	Calculated Property
Cp,gas	609.51	J/mol×K	757.67	Calculated Property
Cp,gas	642.65	J/mol×K	838.44	Calculated Property
Cp,gas	672.15	J/mol×K	919.22	Calculated Property
Cp,gas	698.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to nerylacetol [6,10-dimethyl-(Z)-5,9-undecadien-2-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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