Chemical Properties of 3-Hexyne-2,5-diol, 2,5-dimethyl- (CAS 142-30-3)

InChI

InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

InChI Key

IHJUECRFYCQBMW-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CC(C)(O)C#CC(C)(C)O

Molecular Weight¹

142.20

CAS

142-30-3

Other Names

• 2,5-dimethyl-3-hexyne-2,5-diol
• 2,5-dimethylhexyne-2,5-diol
• D 43
• Dimethylhexynediol
• Kemitracin-50
• Tetramethylbutynediol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°solid	[-4776.40; -4763.20]	kJ/mol
ΔcH°solid	-4763.20 ± 1.40	kJ/mol	NIST
ΔcH°solid	-4776.40 ± 2.40	kJ/mol	NIST
ΔfG°	-48.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.11	kJ/mol	Joback Calculated Property
ΔfH°solid	[-386.00; -385.70]	kJ/mol
ΔfH°solid	-386.00 ± 3.30	kJ/mol	NIST
ΔfH°solid	-385.70 ± 1.40	kJ/mol	NIST
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔsubH°	106.70 ± 0.90	kJ/mol	NIST
ΔvapH°	82.80 ± 1.00	kJ/mol	NIST
IE	9.70	eV	NIST
log10WS	-1.72		Crippen Calculated Property
logPoct/wat	0.532		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	3886.79	kPa	Joback Calculated Property
Tboil	478.65 ± 2.00	K	NIST
Tc	760.19	K	Joback Calculated Property
Tfus	[367.65; 368.00]	K
Tfus	367.65 ± 1.00	K	NIST
Tfus	368.00 ± 3.00	K	NIST
Vc	0.462	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.60; 365.84]	J/mol×K	[569.34; 760.19]
Cp,gas	313.60	J/mol×K	569.34	Joback Calculated Property
Cp,gas	323.75	J/mol×K	601.15	Joback Calculated Property
Cp,gas	333.27	J/mol×K	632.96	Joback Calculated Property
Cp,gas	342.20	J/mol×K	664.76	Joback Calculated Property
Cp,gas	350.57	J/mol×K	696.57	Joback Calculated Property
Cp,gas	358.44	J/mol×K	728.38	Joback Calculated Property
Cp,gas	365.84	J/mol×K	760.19	Joback Calculated Property
ΔvapH	82.80	kJ/mol	298.15	Vaporiz...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[395.20; 470.50]	K	[0.90; 89.30]
Tboilr	395.20	K	0.90	NIST
Tboilr	470.50 ± 2.50	K	89.30	NIST

Similar Compounds

Find more compounds similar to 3-Hexyne-2,5-diol, 2,5-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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