Chemical Properties of 2-Octyn-1-ol (CAS 20739-58-6)

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3

InChI Key

TTWYFVOMGMBZCF-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CCCCCC#CCO

Molecular Weight¹

126.20

CAS

20739-58-6

Other Names

• Oct-2-yn-1-ol

• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid 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).
• 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).
• 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°liquid	-4993.20	kJ/mol	NIST
ΔfG°	82.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.38	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-155.70; 200.00]	kJ/mol
ΔfH°liquid	-155.70 ± 4.00	kJ/mol	NIST
ΔfH°liquid	200.00	kJ/mol	NIST
ΔfusH°	23.69	kJ/mol	Joback Calculated Property
ΔvapH°	52.23	kJ/mol	Joback Calculated Property
log10WS	-2.23		Crippen Calculated Property
logPoct/wat	1.562		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	3325.84	kPa	Joback Calculated Property
Tboil	483.62	K	Joback Calculated Property
Tc	663.12	K	Joback Calculated Property
Tfus	346.84	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.31; 315.65]	J/mol×K	[483.62; 663.12]
Cp,gas	258.31	J/mol×K	483.62	Joback Calculated Property
Cp,gas	268.89	J/mol×K	513.54	Joback Calculated Property
Cp,gas	279.05	J/mol×K	543.45	Joback Calculated Property
Cp,gas	288.79	J/mol×K	573.37	Joback Calculated Property
Cp,gas	298.13	J/mol×K	603.29	Joback Calculated Property
Cp,gas	307.08	J/mol×K	633.20	Joback Calculated Property
Cp,gas	315.65	J/mol×K	663.12	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.34; 204.83]	kPa	[369.15; 503.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63973e+01
Coefficient B			-4.75406e+03
Coefficient C			-7.38950e+01
Temperature range, min.			369.15
Temperature range, max.			503.15
Pvap	1.34	kPa	369.15	Calculated Property
Pvap	2.91	kPa	384.04	Calculated Property
Pvap	5.88	kPa	398.93	Calculated Property
Pvap	11.15	kPa	413.82	Calculated Property
Pvap	20.05	kPa	428.71	Calculated Property
Pvap	34.40	kPa	443.59	Calculated Property
Pvap	56.59	kPa	458.48	Calculated Property
Pvap	89.71	kPa	473.37	Calculated Property
Pvap	137.58	kPa	488.26	Calculated Property
Pvap	204.83	kPa	503.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Octyn-1-ol.

Sources

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

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