Chemical Properties of 4-(2-phenylethoxy)-«gamma»-valerolactone

InChI

InChI=1S/C13H16O3/c1-10-12(9-13(14)16-10)15-8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3

InChI Key

OHNBWRNLOPMBAN-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

CC1OC(=O)CC1OCCc1ccccc1

Molecular Weight¹

220.26

• 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 : 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°	-113.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.90	kJ/mol	Joback Calculated Property
ΔfusH°	27.15	kJ/mol	Joback Calculated Property
ΔvapH°	57.92	kJ/mol	Joback Calculated Property
log10WS	-2.44		Crippen Calculated Property
logPoct/wat	1.950		Crippen Calculated Property
McVol	172.720	ml/mol	McGowan Calculated Property
Pc	2553.34	kPa	Joback Calculated Property
I	[2667.00; 2667.00]
I	2667.00		NIST
I	2667.00		NIST
Tboil	651.32	K	Joback Calculated Property
Tc	886.07	K	Joback Calculated Property
Tfus	386.37	K	Joback Calculated Property
Vc	0.641	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.99; 569.77]	J/mol×K	[651.32; 886.07]
Cp,gas	476.99	J/mol×K	651.32	Joback Calculated Property
Cp,gas	495.59	J/mol×K	690.44	Joback Calculated Property
Cp,gas	512.93	J/mol×K	729.57	Joback Calculated Property
Cp,gas	529.01	J/mol×K	768.69	Joback Calculated Property
Cp,gas	543.85	J/mol×K	807.82	Joback Calculated Property
Cp,gas	557.44	J/mol×K	846.94	Joback Calculated Property
Cp,gas	569.77	J/mol×K	886.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2-phenylethoxy)-«gamma»-valerolactone.

Sources

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

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