Chemical Properties of Diglycolic acid, di(neopentyl) ester

InChI

InChI=1S/C14H26O5/c1-13(2,3)9-18-11(15)7-17-8-12(16)19-10-14(4,5)6/h7-10H2,1-6H3

InChI Key

DMLDCHDCADRPAI-UHFFFAOYSA-N

Formula

C14H26O5

SMILES

CC(C)(C)COC(=O)COCC(=O)OCC(C)(C)C

Molecular Weight¹

274.36

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.11	kJ/mol	Joback Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.182		Crippen Calculated Property
McVol	228.870	ml/mol	McGowan Calculated Property
Inp	[2010.00; 2010.00]
Inp	2010.00		NIST
Inp	2010.00		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 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	[347.63; 779.25]	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			1.75340e+01
Coefficient B			1.41272e+00
Coefficient C			-7.81200e-04
Coefficient D			1.30200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	347.63	J/mol×K	273.00	Calculated Property
Cp,gas	425.31	J/mol×K	353.78	Calculated Property
Cp,gas	494.60	J/mol×K	434.56	Calculated Property
Cp,gas	555.91	J/mol×K	515.33	Calculated Property
Cp,gas	609.65	J/mol×K	596.11	Calculated Property
Cp,gas	656.24	J/mol×K	676.89	Calculated Property
Cp,gas	696.08	J/mol×K	757.67	Calculated Property
Cp,gas	729.59	J/mol×K	838.44	Calculated Property
Cp,gas	757.18	J/mol×K	919.22	Calculated Property
Cp,gas	779.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024300; 0.0000944]	Pa×s	[359.27; 586.60]	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			-1.44016e+01
Coefficient B			3.01129e+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.			359.27
Temperature range, max.			586.60
η	0.0024300	Pa×s	359.27	Calculated Property
η	0.0014012	Pa×s	384.53	Calculated Property
η	0.0008647	Pa×s	409.79	Calculated Property
η	0.0005644	Pa×s	435.05	Calculated Property
η	0.0003860	Pa×s	460.30	Calculated Property
η	0.0002747	Pa×s	485.56	Calculated Property
η	0.0002021	Pa×s	510.82	Calculated Property
η	0.0001531	Pa×s	536.08	Calculated Property
η	0.0001189	Pa×s	561.34	Calculated Property
η	0.0000944	Pa×s	586.60	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(neopentyl) 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

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