Chemical Properties of 2,5-Hexanediol, 2,5-dimethyl- (CAS 110-03-2)

InChI

InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

InChI Key

ZWNMRZQYWRLGMM-UHFFFAOYSA-N

Formula

C8H18O2

SMILES

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

Molecular Weight¹

146.23

CAS

110-03-2

Other Names

• 1,1,4,4-Tetramethyl-1,4-butanediol
• 2,5-Dimethylhexane-2,5-diol
• 2,5-dimethyl-2,5-hexanediol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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	0.7395		Relay (1.0) Calculated Property
ΔcH°solid	-5039.00 ± 1.00	kJ/mol	NIST
ΔfG°	-251.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-577.91	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-682.00 ± 1.00	kJ/mol	NIST
ΔfusH°	9.82	kJ/mol	Joback Calculated Property
ΔvapH°	85.20 ± 3.50	kJ/mol	NIST
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-0.69		Relay (1.0) Calculated Property
logPoct/wat	1.308		Crippen Calculated Property
McVol	135.320	ml/mol	McGowan Calculated Property
Pc	3213.68	kPa	Joback Calculated Property
Inp	[916.00; 916.00]
Inp	916.00		NIST
Inp	916.00		NIST
Tboil	487.20	K	NIST
Tc	649.57	K	Relay (1.0) Calculated Property
Tfus	362.00 ± 3.00	K	NIST
Vc	0.526	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.75; 410.29]	J/mol×K	[560.34; 732.08]
Cp,gas	351.75	J/mol×K	560.34	Joback Calculated Property
Cp,gas	362.94	J/mol×K	588.96	Joback Calculated Property
Cp,gas	373.51	J/mol×K	617.59	Joback Calculated Property
Cp,gas	383.50	J/mol×K	646.21	Joback Calculated Property
Cp,gas	392.93	J/mol×K	674.83	Joback Calculated Property
Cp,gas	401.85	J/mol×K	703.45	Joback Calculated Property
Cp,gas	410.29	J/mol×K	732.08	Joback Calculated Property
η	[0.0000412; 0.0655747]	Pa×s	[306.40; 560.34]
η	0.0655747	Pa×s	306.40	Joback Calculated Property
η	0.0091067	Pa×s	348.72	Joback Calculated Property
η	0.0019390	Pa×s	391.05	Joback Calculated Property
η	0.0005585	Pa×s	433.37	Joback Calculated Property
η	0.0002007	Pa×s	475.69	Joback Calculated Property
η	0.0000853	Pa×s	518.02	Joback Calculated Property
η	0.0000412	Pa×s	560.34	Joback Calculated Property
ΔvapH	85.20	kJ/mol	298.15	Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.57; 202.67]	kPa	[361.65; 512.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63837e+01
Coefficient B			-4.83112e+03
Coefficient C			-7.65780e+01
Temperature range, min.			361.65
Temperature range, max.			512.91
Pvap	0.57	kPa	361.65	Calculated Property
Pvap	1.46	kPa	378.46	Calculated Property
Pvap	3.40	kPa	395.26	Calculated Property
Pvap	7.27	kPa	412.07	Calculated Property
Pvap	14.45	kPa	428.88	Calculated Property
Pvap	26.98	kPa	445.68	Calculated Property
Pvap	47.70	kPa	462.49	Calculated Property
Pvap	80.43	kPa	479.30	Calculated Property
Pvap	130.06	kPa	496.10	Calculated Property
Pvap	202.67	kPa	512.91	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Hexanediol, 2,5-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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