Chemical Properties of 1,5,7-Octatrien-3-ol, 3,7-dimethyl- (CAS 29957-43-5)

InChI

InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3

InChI Key

ZJIQIJIQBTVTDY-UHFFFAOYSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.24

CAS

29957-43-5

Other Names

• Hotrienol
• 3,7-Dimethyl-1,5,7-octatrien-3-ol
• 2,6-dimethyl-1,3,7-octatrien-6-ol
• 3,7-dimethyl-1,5,7-octatriene-3-ol
• 3,7-Dimethyl-octa-1,5,7-trien-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_p : 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°	14.66	kJ/mol	Joback Calculated Property
ΔvapH°	62.41	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.66		Relay (1.0) Calculated Property
logPoct/wat	2.446		Crippen Calculated Property
McVol	144.730	ml/mol	McGowan Calculated Property
Inp	[1098.00; 1115.00]
Inp	1107.70		NIST
Inp	1108.00		NIST
Inp	1106.00		NIST
Inp	1108.00		NIST
Inp	1106.00		NIST
Inp	Outlier 1115.00		NIST
Inp	1104.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1108.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	Outlier 1098.00		NIST
Inp	1104.00		NIST
Inp	1110.00		NIST
Ip	[1573.00; 1648.00]
Ip	1620.00		NIST
Ip	1613.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1620.00		NIST
Ip	Outlier 1648.00		NIST
Ip	1605.00		NIST
Ip	1620.00		NIST
Ip	1614.00		NIST
Ip	1621.00		NIST
Ip	1573.00		NIST
Ip	1578.00		NIST
Ip	1580.00		NIST
Ip	1573.00		NIST
Ip	1605.00		NIST
Ip	1585.00		NIST
Ip	1605.00		NIST
Ip	1613.00		NIST
Tboil	458.64	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, 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	[195.19; 467.50]	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			-4.52390e+01
Coefficient B			1.09354e+00
Coefficient C			-8.54300e-04
Coefficient D			2.73500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.19	J/mol×K	273.00	Calculated Property
Cp,gas	246.82	J/mol×K	353.78	Calculated Property
Cp,gas	291.08	J/mol×K	434.56	Calculated Property
Cp,gas	328.85	J/mol×K	515.33	Calculated Property
Cp,gas	360.99	J/mol×K	596.11	Calculated Property
Cp,gas	388.37	J/mol×K	676.89	Calculated Property
Cp,gas	411.84	J/mol×K	757.67	Calculated Property
Cp,gas	432.28	J/mol×K	838.44	Calculated Property
Cp,gas	450.54	J/mol×K	919.22	Calculated Property
Cp,gas	467.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,5,7-Octatrien-3-ol, 3,7-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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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