Chemical Properties of 1,7-Octadiene-3,6-diol, 2,6-dimethyl- (CAS 51276-33-6)

InChI

InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3

InChI Key

HZHJGFRDKJPQPV-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

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

Molecular Weight¹

170.25

CAS

51276-33-6

Other Names

• 2,6-Dimethyl-1,7-octadien-3,6-diol
• 2,6-Dimethyl-octa-1,7-dien-3,6-diol
• 3,7-Dimethyl-1,7-octadien-3,6-diol
• 3,7-Dimethyl-1,7-octadiene-3,6-diol
• 3,7-Dimethylocta-1,7-dien-3,6-diol
• 3,7-Dimethylocta-1,7-diene-3,6-diol
• 2,6-Dimethylocta-1,7-diene-3,6-diol
• 2,6-Dimethyl-1,7-octadiene-3,6-diol

• 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	0.7089		Relay (... Calculated Property
ΔfG°	-72.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-388.16	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.02	kJ/mol	Joback Calculated Property
ΔvapH°	81.76	kJ/mol	Relay (... Calculated Property
IE	9.22	eV	Relay (... Calculated Property
log10WS	-0.75		Relay (... Calculated Property
logPoct/wat	1.641		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[1265.00; 1286.00]
Inp	1270.00		NIST
Inp	1277.00		NIST
Inp	1265.00		NIST
Inp	1272.00		NIST
Inp	1265.00		NIST
Inp	1274.00		NIST
Inp	1286.00		NIST
Inp	1274.00		NIST
Inp	1270.00		NIST
Inp	1286.00		NIST
I	[2128.00; 2136.00]
I	2128.00		NIST
I	2128.00		NIST
I	2135.00		NIST
I	2128.00		NIST
I	2134.00		NIST
I	2136.00		NIST
I	2128.00		NIST
Tboil	511.64	K	Relay (... Calculated Property
Tc	691.86	K	Relay (... Calculated Property
Tfus	303.75	K	Relay (... Calculated Property
Vc	0.557	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.84; 461.89]	J/mol×K	[602.13; 774.34]
Cp,gas	402.84	J/mol×K	602.13	Joback Calculated Property
Cp,gas	414.05	J/mol×K	630.83	Joback Calculated Property
Cp,gas	424.67	J/mol×K	659.53	Joback Calculated Property
Cp,gas	434.72	J/mol×K	688.24	Joback Calculated Property
Cp,gas	444.26	J/mol×K	716.94	Joback Calculated Property
Cp,gas	453.30	J/mol×K	745.64	Joback Calculated Property
Cp,gas	461.89	J/mol×K	774.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,7-Octadiene-3,6-diol, 2,6-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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