Chemical Properties of 3-Phenylpropionic acid, hex-4-yn-3-yl ester

InChI

InChI=1S/C15H18O2/c1-3-8-14(4-2)17-15(16)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,11-12H2,1-2H3

InChI Key

RLHCYVPRHPXILZ-UHFFFAOYSA-N

Formula

C15H18O2

SMILES

CC#CC(CC)OC(=O)CCc1ccccc1

Molecular Weight¹

230.30

• 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°	154.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.18	kJ/mol	Joback Calculated Property
ΔfusH°	31.03	kJ/mol	Joback Calculated Property
ΔvapH°	62.18	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	2.964		Crippen Calculated Property
McVol	197.290	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
Inp	[1688.00; 1688.00]
Inp	1688.00		NIST
Inp	1688.00		NIST
Tboil	654.13	K	Joback Calculated Property
Tc	877.48	K	Joback Calculated Property
Tfus	448.49	K	Joback Calculated Property
Vc	0.748	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.64; 589.28]	J/mol×K	[654.13; 877.48]
Cp,gas	504.64	J/mol×K	654.13	Joback Calculated Property
Cp,gas	521.28	J/mol×K	691.36	Joback Calculated Property
Cp,gas	536.86	J/mol×K	728.58	Joback Calculated Property
Cp,gas	551.42	J/mol×K	765.81	Joback Calculated Property
Cp,gas	564.99	J/mol×K	803.03	Joback Calculated Property
Cp,gas	577.59	J/mol×K	840.26	Joback Calculated Property
Cp,gas	589.28	J/mol×K	877.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, hex-4-yn-3-yl ester.

Sources

• 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.