Chemical Properties of 1-Phenyl-3-ethyl-4-hexen-1-yn-3-ol

InChI

InChI=1S/C14H16O/c1-3-11-14(15,4-2)12-10-13-8-6-5-7-9-13/h3,5-9,11,15H,4H2,1-2H3/b11-3+

InChI Key

LUVLOEMXAFKSFO-QDEBKDIKSA-N

Formula

C14H16O

SMILES

CC=CC(O)(C#Cc1ccccc1)CC

Molecular Weight¹

200.28

• 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.
• 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	0.5579		Relay (1.0) Calculated Property
ΔfG°	328.45	kJ/mol	Joback Calculated Property
ΔfH°gas	100.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.06	kJ/mol	Joback Calculated Property
ΔvapH°	81.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	2.755		Crippen Calculated Property
McVol	177.330	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback Calculated Property
Inp	[1906.00; 1906.00]
Inp	1906.00		NIST
Inp	1906.00		NIST
Tboil	537.38	K	Relay (1.0) Calculated Property
Tc	767.97	K	Relay (1.0) Calculated Property
Tfus	324.05	K	Relay (1.0) Calculated Property
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.62; 520.24]	J/mol×K	[648.51; 871.45]
Cp,gas	447.62	J/mol×K	648.51	Joback Calculated Property
Cp,gas	461.97	J/mol×K	685.67	Joback Calculated Property
Cp,gas	475.30	J/mol×K	722.82	Joback Calculated Property
Cp,gas	487.71	J/mol×K	759.98	Joback Calculated Property
Cp,gas	499.27	J/mol×K	797.13	Joback Calculated Property
Cp,gas	510.09	J/mol×K	834.29	Joback Calculated Property
Cp,gas	520.24	J/mol×K	871.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-3-ethyl-4-hexen-1-yn-3-ol.

Sources

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

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