Chemical Properties of Diglycolic acid, 2,5-dimethylphenyl propyl ester

InChI

InChI=1S/C15H20O5/c1-4-7-19-14(16)9-18-10-15(17)20-13-8-11(2)5-6-12(13)3/h5-6,8H,4,7,9-10H2,1-3H3

InChI Key

CNFKSNLOLXJXGF-UHFFFAOYSA-N

Formula

C15H20O5

SMILES

CCCOC(=O)COCC(=O)Oc1cc(C)ccc1C

Molecular Weight¹

280.32

• 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_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.79	kJ/mol	Joback Calculated Property
logPoct/wat	2.179		Crippen Calculated Property
McVol	219.200	ml/mol	McGowan Calculated Property
Inp	[2456.00; 2456.00]
Inp	2456.00		NIST
Inp	2456.00		NIST
Tfus	293.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[319.61; 703.30]	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			6.02640e+01
Coefficient B			1.05816e+00
Coefficient C			-3.89120e-04
Coefficient D			-2.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.61	J/mol×K	273.00	Calculated Property
Cp,gas	384.76	J/mol×K	353.78	Calculated Property
Cp,gas	444.48	J/mol×K	434.56	Calculated Property
Cp,gas	498.67	J/mol×K	515.33	Calculated Property
Cp,gas	547.26	J/mol×K	596.11	Calculated Property
Cp,gas	590.17	J/mol×K	676.89	Calculated Property
Cp,gas	627.31	J/mol×K	757.67	Calculated Property
Cp,gas	658.60	J/mol×K	838.44	Calculated Property
Cp,gas	683.96	J/mol×K	919.22	Calculated Property
Cp,gas	703.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008404; 0.0000982]	Pa×s	[417.16; 642.23]	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			-1.32071e+01
Coefficient B			2.55527e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			417.16
Temperature range, max.			642.23
η	0.0008404	Pa×s	417.16	Calculated Property
η	0.0005943	Pa×s	442.17	Calculated Property
η	0.0004362	Pa×s	467.18	Calculated Property
η	0.0003303	Pa×s	492.18	Calculated Property
η	0.0002570	Pa×s	517.19	Calculated Property
η	0.0002046	Pa×s	542.20	Calculated Property
η	0.0001662	Pa×s	567.21	Calculated Property
η	0.0001374	Pa×s	592.21	Calculated Property
η	0.0001154	Pa×s	617.22	Calculated Property
η	0.0000982	Pa×s	642.23	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl propyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.