Chemical Properties of 1-Pentyn-3-ol, 3-methyl- (CAS 77-75-8)

InChI

InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3

InChI Key

QXLPXWSKPNOQLE-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C#CC(C)(O)CC

Molecular Weight¹

98.14

CAS

77-75-8

Other Names

• (+/-)-3-Methylpent-1-yn-3-ol
• 2-Butanol, 2-ethynyl-
• 2-Ethinyl butanol-2
• 2-Ethynyl-2-butanol
• 3-Hydroxy-3-methyl-1-pentyne
• 3-Methyl-1-pentin-3-ol
• 3-Methyl-1-pentyn-3-ol
• 3-Methyl-1-pentyne-3-ol
• 3-Methyl-pentin-(1)-ol-(3)
• 3-Methylpent-1-yn-3-ol
• 3-Methylpentin-3-ol
• 3-Methylpentyn-3-ol
• 3-Metil-pentin-3-ol
• Allotropal
• Aniphor
• Apridol
• Atemorin
• Atempol
• BDH
• Citodorm
• Comesa
• Dalgol
• Dorison
• Dormalest
• Dormidin
• Dormigen
• Dormiphen
• Dormison
• Dormocit
• Dormosan
• Ethinylmethylethylcarbinol
• Ethyl ethynyl methyl carbinol
• Ethynylethylmethylcarbinol
• Formison
• Hesofen
• Hexofen
• Imnudorm
• Insomnol
• Macarol
• Mecarol
• Melpintol
• Meparfynol
• Mepentamato
• Mepentil
• Methylethylacetylenylcarbinol
• Methylethylethynylcarbinol
• Methylparafynol
• Methylpentinol
• Methylpentynol
• Methylpentynolum
• Metilparafinolo
• Metilpentinolo
• Miramel
• N-Oblivon
• Noxokratin
• Oblevil
• Oblivon
• Oblivon C
• Olfine P
• Olosot
• Olvadon
• Pent-1-yne-3-ol, 3-methyl-
• Pentadorm
• Pentinol
• Pentydorm
• Pentydrom
• Pentyrest
• Perlopal
• Placidal
• Riposon
• Sedapercut
• Seral
• Sintyal
• Somnesin
• Sonnormon
• Trusono
• Util
• anti-Stress
• «alpha»-Ethyl-«alpha»-methylpropargyl alcohol
• «alpha»-Ethyl-«alpha»-methylpropargyl alcohol

• 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
ΔfG°	88.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.25	kJ/mol	Joback Calculated Property
ΔfusH°	10.94	kJ/mol	Joback Calculated Property
ΔvapH°	44.19	kJ/mol	Joback Calculated Property
IE	10.03	eV	NIST
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	0.781		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	4244.08	kPa	Joback Calculated Property
Inp	[660.00; 715.00]
Inp	690.00		NIST
Inp	660.00		NIST
Inp	663.00		NIST
Inp	695.00		NIST
Inp	695.00		NIST
Inp	715.00		NIST
Inp	715.00		NIST
Inp	695.00		NIST
I	1275.00		NIST
Tboil	[393.70; 394.50]	K
Tboil	394.50 ± 0.50	K	NIST
Tboil	393.70	K	NIST
Tc	598.74	K	Joback Calculated Property
Tfus	267.59	K	Joback Calculated Property
Vc	0.342	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.97; 229.97]	J/mol×K	[415.75; 598.74]
Cp,gas	182.97	J/mol×K	415.75	Joback Calculated Property
Cp,gas	192.04	J/mol×K	446.25	Joback Calculated Property
Cp,gas	200.58	J/mol×K	476.75	Joback Calculated Property
Cp,gas	208.62	J/mol×K	507.24	Joback Calculated Property
Cp,gas	216.18	J/mol×K	537.74	Joback Calculated Property
Cp,gas	223.28	J/mol×K	568.24	Joback Calculated Property
Cp,gas	229.97	J/mol×K	598.74	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.30; 204.68]	kPa	[302.15; 416.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64833e+01
Coefficient B			-4.07773e+03
Coefficient C			-5.08210e+01
Temperature range, min.			302.15
Temperature range, max.			416.15
Pvap	1.30	kPa	302.15	Calculated Property
Pvap	2.82	kPa	314.82	Calculated Property
Pvap	5.72	kPa	327.48	Calculated Property
Pvap	10.91	kPa	340.15	Calculated Property
Pvap	19.70	kPa	352.82	Calculated Property
Pvap	33.93	kPa	365.48	Calculated Property
Pvap	56.02	kPa	378.15	Calculated Property
Pvap	89.10	kPa	390.82	Calculated Property
Pvap	137.08	kPa	403.48	Calculated Property
Pvap	204.68	kPa	416.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentyn-3-ol, 3-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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