Chemical Properties of Benzene, 1-hexynyl- (CAS 1129-65-3)

InChI

InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3

InChI Key

VBRLZTLFLNZEPZ-UHFFFAOYSA-N

Formula

C12H14

SMILES

CCCCC#Cc1ccccc1

Molecular Weight¹

158.24

CAS

1129-65-3

Other Names

• 1-Hexyne, 1-phenyl-
• Butylphenylacetylene
• 1-Butyl-2-phenylacetylene
• 1-Phenyl-1-hexyne
• 1-Hexynyl-benzene

• 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).
• 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
ΔfG°	365.37	kJ/mol	Joback Calculated Property
ΔfH°gas	226.00	kJ/mol	NIST
ΔfusH°	24.00	kJ/mol	Joback Calculated Property
ΔvapH°	46.73	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	3.228		Crippen Calculated Property
McVol	147.580	ml/mol	McGowan Calculated Property
Pc	2832.35	kPa	Joback Calculated Property
Inp	227.90		NIST
Tboil	[503.50; 503.70]	K
Tboil	503.70	K	NIST
Tboil	503.50 ± 1.50	K	NIST
Tc	735.81	K	Joback Calculated Property
Tfus	357.52	K	Joback Calculated Property
Vc	0.561	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.48; 395.64]	J/mol×K	[509.64; 735.81]
Cp,gas	312.48	J/mol×K	509.64	Joback Calculated Property
Cp,gas	328.65	J/mol×K	547.34	Joback Calculated Property
Cp,gas	343.83	J/mol×K	585.03	Joback Calculated Property
Cp,gas	358.08	J/mol×K	622.73	Joback Calculated Property
Cp,gas	371.43	J/mol×K	660.42	Joback Calculated Property
Cp,gas	383.94	J/mol×K	698.12	Joback Calculated Property
Cp,gas	395.64	J/mol×K	735.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-hexynyl-.

Sources

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

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