Chemical Properties of 1-Phenyl-1-pentyne (CAS 4250-81-1)

InChI

InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3H2,1H3

InChI Key

DEGIOKWPYFOHGH-UHFFFAOYSA-N

Formula

C11H12

SMILES

CCCC#Cc1ccccc1

Molecular Weight¹

144.21

CAS

4250-81-1

Other Names

• Benzene, 1-pentynyl-
• 1-pentynylbenzene

• 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).
• 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
ΔfG°	356.95	kJ/mol	Joback Calculated Property
ΔfH°gas	238.46	kJ/mol	Joback Calculated Property
ΔfusH°	21.41	kJ/mol	Joback Calculated Property
ΔvapH°	44.51	kJ/mol	Joback Calculated Property
IE	8.29 ± 0.02	eV	NIST
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	2.838		Crippen Calculated Property
McVol	133.490	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Tboil	[486.00; 487.20]	K
Tboil	487.20	K	NIST
Tboil	486.00	K	NIST
Tc	716.94	K	Joback Calculated Property
Tfus	346.25	K	Joback Calculated Property
Vc	0.505	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.36; 346.26]	J/mol×K	[486.76; 716.94]
Cp,gas	268.36	J/mol×K	486.76	Joback Calculated Property
Cp,gas	283.54	J/mol×K	525.12	Joback Calculated Property
Cp,gas	297.79	J/mol×K	563.49	Joback Calculated Property
Cp,gas	311.14	J/mol×K	601.85	Joback Calculated Property
Cp,gas	323.64	J/mol×K	640.21	Joback Calculated Property
Cp,gas	335.33	J/mol×K	678.58	Joback Calculated Property
Cp,gas	346.26	J/mol×K	716.94	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-Phenyl-1-pentyne.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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