Chemical Properties of 4-(phenylmethoxy)-.gamma.-valerolactone

InChI

InChI=1S/C12H14O3/c1-9-11(7-12(13)15-9)14-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

InChI Key

AKWGWVSTXAZVAU-UHFFFAOYSA-N

Formula

C12H14O3

SMILES

CC1OC(=O)CC1OCc1ccccc1

Molecular Weight¹

206.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.35; 532.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.53190e+01
Coefficient B			1.07132e+00
Coefficient C			-6.19400e-04
Coefficient D			1.16300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.35	J/mol×K	273.00	Calculated Property
Cp,gas	271.32	J/mol×K	353.78	Calculated Property
Cp,gas	322.81	J/mol×K	434.56	Calculated Property
Cp,gas	368.19	J/mol×K	515.33	Calculated Property
Cp,gas	407.84	J/mol×K	596.11	Calculated Property
Cp,gas	442.12	J/mol×K	676.89	Calculated Property
Cp,gas	471.40	J/mol×K	757.67	Calculated Property
Cp,gas	496.04	J/mol×K	838.44	Calculated Property
Cp,gas	516.42	J/mol×K	919.22	Calculated Property
Cp,gas	532.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017818; 0.0003884]	Pa×s	[329.68; 559.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.00370e+01
Coefficient B			1.22206e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			329.68
Temperature range, max.			559.69
η	0.0017818	Pa×s	329.68	Calculated Property
η	0.0013647	Pa×s	355.24	Calculated Property
η	0.0010833	Pa×s	380.79	Calculated Property
η	0.0008853	Pa×s	406.35	Calculated Property
η	0.0007410	Pa×s	431.91	Calculated Property
η	0.0006327	Pa×s	457.46	Calculated Property
η	0.0005493	Pa×s	483.02	Calculated Property
η	0.0004837	Pa×s	508.58	Calculated Property
η	0.0004312	Pa×s	534.13	Calculated Property
η	0.0003884	Pa×s	559.69	Calculated Property

Similar Compounds

Find more compounds similar to 4-(phenylmethoxy)-.gamma.-valerolactone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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