Chemical Properties of Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI

InChI=1S/C20H26O2/c1-6-19(17-10-8-7-9-11-17)20(21)22-18(14-16(4)5)13-12-15(2)3/h7-11,16,18-19H,2,6,14H2,1,3-5H3

InChI Key

IKZXFTGYQYJYBW-UHFFFAOYSA-N

Formula

C20H26O2

SMILES

C=C(C)C#CC(CC(C)C)OC(=O)C(CC)c1ccccc1

Molecular Weight¹

298.42

• 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°	270.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-92.30	kJ/mol	Joback Calculated Property
ΔfusH°	34.35	kJ/mol	Joback Calculated Property
ΔvapH°	71.94	kJ/mol	Joback Calculated Property
log10WS	-5.64		Crippen Calculated Property
logPoct/wat	4.718		Crippen Calculated Property
McVol	263.440	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[1896.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Tboil	764.21	K	Joback Calculated Property
Tc	984.80	K	Joback Calculated Property
Tfus	459.12	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.28; 846.90]	J/mol×K	[764.21; 984.80]
Cp,gas	754.28	J/mol×K	764.21	Joback Calculated Property
Cp,gas	772.67	J/mol×K	800.98	Joback Calculated Property
Cp,gas	789.80	J/mol×K	837.74	Joback Calculated Property
Cp,gas	805.73	J/mol×K	874.51	Joback Calculated Property
Cp,gas	820.53	J/mol×K	911.27	Joback Calculated Property
Cp,gas	834.23	J/mol×K	948.04	Joback Calculated Property
Cp,gas	846.90	J/mol×K	984.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Sources

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

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