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

220.27

• 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

Property	Value	Unit	Source
ΔfusH°	28.23	kJ/mol	Joback Calculated Property
logPoct/wat	1.950		Crippen Calculated Property
McVol	172.720	ml/mol	McGowan Calculated Property
Ip	[2667.00; 2667.00]
Ip	2667.00		NIST
Ip	2667.00		NIST

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	[234.57; 584.49]	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			-3.62280e+01
Coefficient B			1.16632e+00
Coefficient C			-6.73800e-04
Coefficient D			1.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.57	J/mol×K	273.00	Calculated Property
Cp,gas	297.73	J/mol×K	353.78	Calculated Property
Cp,gas	353.88	J/mol×K	434.56	Calculated Property
Cp,gas	403.42	J/mol×K	515.33	Calculated Property
Cp,gas	446.75	J/mol×K	596.11	Calculated Property
Cp,gas	484.28	J/mol×K	676.89	Calculated Property
Cp,gas	516.41	J/mol×K	757.67	Calculated Property
Cp,gas	543.56	J/mol×K	838.44	Calculated Property
Cp,gas	566.11	J/mol×K	919.22	Calculated Property
Cp,gas	584.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018186; 0.0003806]	Pa×s	[340.95; 573.16]	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			-1.01702e+01
Coefficient B			1.31622e+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.			340.95
Temperature range, max.			573.16
η	0.0018186	Pa×s	340.95	Calculated Property
η	0.0013861	Pa×s	366.75	Calculated Property
η	0.0010948	Pa×s	392.55	Calculated Property
η	0.0008903	Pa×s	418.35	Calculated Property
η	0.0007416	Pa×s	444.16	Calculated Property
η	0.0006302	Pa×s	469.96	Calculated Property
η	0.0005447	Pa×s	495.76	Calculated Property
η	0.0004777	Pa×s	521.56	Calculated Property
η	0.0004241	Pa×s	547.36	Calculated Property
η	0.0003806	Pa×s	573.16	Calculated Property

Similar Compounds

Find more compounds similar to 4-(2-phenylethoxy)-.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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.