Chemical Properties of 4-Phenyl-1-butyne

InChI

InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h1,4-6,8-9H,3,7H2

InChI Key

QDEOKXOYHYUKMS-UHFFFAOYSA-N

Formula

C10H10

SMILES

C#CCCc1ccccc1

Molecular Weight¹

130.19

Other Names

• Benzene, 3-butynyl-

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.2931		Relay (1.0) Calculated Property
ΔcH°liquid	-5612.80	kJ/mol	NIST
ΔfG°	368.80	kJ/mol	Joback Calculated Property
ΔfH°gas	306.52	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-212.30; 248.60]	kJ/mol
ΔfH°liquid	248.60 ± 5.00	kJ/mol	NIST
ΔfH°liquid	-212.30	kJ/mol	NIST
ΔfusH°	18.67	kJ/mol	Joback Calculated Property
ΔvapH°	53.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	NIST
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.252		Crippen Calculated Property
McVol	119.400	ml/mol	McGowan Calculated Property
Pc	3464.28	kPa	Joback Calculated Property
Inp	[1053.00; 1064.00]
Inp	1064.00		NIST
Inp	1053.00		NIST
Inp	1053.00		NIST
Inp	1064.00		NIST
Tboil	[450.65; 463.00]	K
Tboil	463.00	K	NIST
Tboil	450.65 ± 3.00	K	NIST
Tboil	450.65 ± 3.00	K	NIST
Tc	682.27	K	Relay (1.0) Calculated Property
Tfus	223.08	K	Relay (1.0) Calculated Property
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[328.00; 356.20]	K	[0.50; 2.00]
Tboilr	328.00	K	0.50	NIST
Tboilr	356.20	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.18; 359.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.63280e+01
Coefficient B			7.81000e-01
Coefficient C			-5.47330e-04
Coefficient D			1.51690e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.18	J/mol×K	273.00	Calculated Property
Cp,gas	188.19	J/mol×K	353.78	Calculated Property
Cp,gas	222.15	J/mol×K	434.56	Calculated Property
Cp,gas	251.55	J/mol×K	515.33	Calculated Property
Cp,gas	276.87	J/mol×K	596.11	Calculated Property
Cp,gas	298.59	J/mol×K	676.89	Calculated Property
Cp,gas	317.19	J/mol×K	757.67	Calculated Property
Cp,gas	333.14	J/mol×K	838.44	Calculated Property
Cp,gas	346.93	J/mol×K	919.22	Calculated Property
Cp,gas	359.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Phenyl-1-butyne.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.