Chemical Properties of 3,7-Nonadien-2-ol, 4,8-dimethyl- (CAS 67845-50-5)

InChI

InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+

InChI Key

NYPOJSCNHYUZRG-CSKARUKUSA-N

Formula

C11H20O

SMILES

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

Molecular Weight¹

168.28

CAS

67845-50-5

Other Names

• 4,8-Dimethyl-3,7-nonadien-2-ol
• 4,8-Dimethylnona-3,7-dien-2-ol

• 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_np : Non-polar retention indices.
• 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	-299.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.60	kJ/mol	Joback Calculated Property
ΔvapH°	72.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	3.060		Crippen Calculated Property
McVol	163.120	ml/mol	McGowan Calculated Property
Inp	1329.00		NIST
I	[1311.00; 1311.00]
I	1311.00		NIST
I	1311.00		NIST
Tboil	495.69	K	Relay (1.0) Calculated Property
Tfus	260.79	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	[223.32; 544.33]	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			-3.12480e+01
Coefficient B			1.12858e+00
Coefficient C			-7.80400e-04
Coefficient D			2.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.32	J/mol×K	273.00	Calculated Property
Cp,gas	280.41	J/mol×K	353.78	Calculated Property
Cp,gas	330.47	J/mol×K	434.56	Calculated Property
Cp,gas	374.22	J/mol×K	515.33	Calculated Property
Cp,gas	412.37	J/mol×K	596.11	Calculated Property
Cp,gas	445.64	J/mol×K	676.89	Calculated Property
Cp,gas	474.75	J/mol×K	757.67	Calculated Property
Cp,gas	500.42	J/mol×K	838.44	Calculated Property
Cp,gas	523.38	J/mol×K	919.22	Calculated Property
Cp,gas	544.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Nonadien-2-ol, 4,8-dimethyl-.

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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