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

• 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).
• 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	0.4209		Relay (1.0) Calculated Property
ΔcH°liquid	-7207.80	kJ/mol	NIST
ΔfG°	242.43	kJ/mol	Joback Calculated Property
ΔfH°gas	62.28	kJ/mol	Relay (1.0) 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°	64.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) 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	492.62	K	Relay (1.0) Calculated Property
Tc	740.72	K	Relay (1.0) Calculated Property
Tfus	299.88	K	Relay (1.0) Calculated Property
Vc	0.571	m3/kmol	Relay (1.0) 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

• 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.