Chemical Properties of Isovalerylphenylacetylene (CAS 23566-47-4)

InChI

InChI=1S/C13H14O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-7,11H,10H2,1-2H3

InChI Key

YSNUZHGXXPVDOQ-UHFFFAOYSA-N

Formula

C13H14O

SMILES

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

Molecular Weight¹

186.25

CAS

23566-47-4

• 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).
• 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
ΔcH°liquid	-7207.80	kJ/mol	NIST
ΔfG°	242.43	kJ/mol	Joback Calculated Property
ΔfH°gas	79.32	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-41.80; 91.40]	kJ/mol
ΔfH°liquid	91.40 ± 6.00	kJ/mol	NIST
ΔfH°liquid	-41.80	kJ/mol	NIST
ΔfusH°	24.67	kJ/mol	Joback Calculated Property
ΔvapH°	55.32	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	2.653		Crippen Calculated Property
McVol	163.240	ml/mol	McGowan Calculated Property
Pc	2758.46	kPa	Joback Calculated Property
Tboil	585.95	K	Joback Calculated Property
Tc	821.45	K	Joback Calculated Property
Tfus	403.72	K	Joback Calculated Property
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.80; 459.20]	J/mol×K	[585.95; 821.45]
Cp,gas	378.80	J/mol×K	585.95	Joback Calculated Property
Cp,gas	394.71	J/mol×K	625.20	Joback Calculated Property
Cp,gas	409.55	J/mol×K	664.45	Joback Calculated Property
Cp,gas	423.36	J/mol×K	703.70	Joback Calculated Property
Cp,gas	436.21	J/mol×K	742.95	Joback Calculated Property
Cp,gas	448.14	J/mol×K	782.20	Joback Calculated Property
Cp,gas	459.20	J/mol×K	821.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isovalerylphenylacetylene.

Sources

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

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