Chemical Properties of 5,7-Octadien-2-ol, 2,6-dimethyl- (CAS 5986-38-9)

InChI

InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+

InChI Key

IJFKZRMIRAVXRK-VQHVLOKHSA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

CAS

5986-38-9

Other Names

• 2,6-Dimethyl-5,7-octadien-2-ol
• Ocimenol

• 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).
• P_vap : Vapor 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	0.5970		Relay (... Calculated Property
ΔfG°	58.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-246.67	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.94	kJ/mol	Joback Calculated Property
ΔvapH°	67.76	kJ/mol	Relay (... Calculated Property
IE	8.56	eV	Relay (... Calculated Property
log10WS	-1.78		Relay (... Calculated Property
logPoct/wat	2.670		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Pc	2581.96	kPa	Joback Calculated Property
Inp	[1139.00; 1179.00]
Inp	1155.00		NIST
Inp	1179.00		NIST
Inp	1139.00		NIST
Inp	1174.00		NIST
Inp	1179.00		NIST
Inp	1177.00		NIST
Inp	1153.00		NIST
Inp	1155.00		NIST
Inp	1150.00		NIST
Inp	1150.00		NIST
Inp	1174.00		NIST
Inp	1150.00		NIST
I	[1640.00; 1688.00]
I	1688.00		NIST
I	Outlier 1640.00		NIST
I	1688.00		NIST
I	1687.00		NIST
I	1673.00		NIST
I	1688.00		NIST
Tboil	476.43	K	Relay (... Calculated Property
Tc	657.77	K	Relay (... Calculated Property
Tfus	270.75	K	Relay (... Calculated Property
Vc	0.530	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.03; 416.91]	J/mol×K	[517.87; 697.57]
Cp,gas	347.03	J/mol×K	517.87	Joback Calculated Property
Cp,gas	360.38	J/mol×K	547.82	Joback Calculated Property
Cp,gas	372.99	J/mol×K	577.77	Joback Calculated Property
Cp,gas	384.91	J/mol×K	607.72	Joback Calculated Property
Cp,gas	396.18	J/mol×K	637.67	Joback Calculated Property
Cp,gas	406.83	J/mol×K	667.62	Joback Calculated Property
Cp,gas	416.91	J/mol×K	697.57	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[368.78; 533.78]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42607e+01
Coefficient B			-4.10698e+03
Coefficient C			-7.48620e+01
Temperature range, min.			368.78
Temperature range, max.			533.78
Pvap	1.33	kPa	368.78	Calculated Property
Pvap	3.03	kPa	387.11	Calculated Property
Pvap	6.28	kPa	405.45	Calculated Property
Pvap	12.06	kPa	423.78	Calculated Property
Pvap	21.71	kPa	442.11	Calculated Property
Pvap	36.94	kPa	460.45	Calculated Property
Pvap	59.91	kPa	478.78	Calculated Property
Pvap	93.16	kPa	497.11	Calculated Property
Pvap	139.63	kPa	515.45	Calculated Property
Pvap	202.63	kPa	533.78	Calculated Property

Similar Compounds

Find more compounds similar to 5,7-Octadien-2-ol, 2,6-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.