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/b7-6+

InChI Key

ZJIQIJIQBTVTDY-VOTSOKGWSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.23

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5662		Relay (... Calculated Property
ΔfG°	146.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.12	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.66	kJ/mol	Joback Calculated Property
ΔvapH°	60.93	kJ/mol	Relay (... Calculated Property
IE	8.84	eV	Relay (... Calculated Property
log10WS	-1.66		Relay (... Calculated Property
logPoct/wat	2.446		Crippen Calculated Property
McVol	144.730	ml/mol	McGowan Calculated Property
Pc	2695.80	kPa	Joback 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
I	[1573.00; 1648.00]
I	1613.00		NIST
I	1614.00		NIST
I	1614.00		NIST
I	1620.00		NIST
I	Outlier 1648.00		NIST
I	1605.00		NIST
I	1620.00		NIST
I	1614.00		NIST
I	1621.00		NIST
I	1573.00		NIST
I	1578.00		NIST
I	1580.00		NIST
I	1573.00		NIST
I	1605.00		NIST
I	1585.00		NIST
I	1605.00		NIST
I	1613.00		NIST
I	1620.00		NIST
Tboil	458.64	K	Relay (... Calculated Property
Tc	658.66	K	Relay (... Calculated Property
Tfus	268.46	K	Relay (... Calculated Property
Vc	0.503	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.52; 394.75]	J/mol×K	[514.55; 697.69]
Cp,gas	328.52	J/mol×K	514.55	Joback Calculated Property
Cp,gas	341.30	J/mol×K	545.07	Joback Calculated Property
Cp,gas	353.32	J/mol×K	575.60	Joback Calculated Property
Cp,gas	364.63	J/mol×K	606.12	Joback Calculated Property
Cp,gas	375.27	J/mol×K	636.64	Joback Calculated Property
Cp,gas	385.29	J/mol×K	667.16	Joback Calculated Property
Cp,gas	394.75	J/mol×K	697.69	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.