Chemical Properties of Glutaric acid, 2-methylpent-3-yl 3-methylphenyl ester

InChI

InChI=1S/C18H26O4/c1-5-16(13(2)3)22-18(20)11-7-10-17(19)21-15-9-6-8-14(4)12-15/h6,8-9,12-13,16H,5,7,10-11H2,1-4H3

InChI Key

BLKPBZQJQVZIMZ-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCC(OC(=O)CCCC(=O)Oc1cccc(C)c1)C(C)C

Molecular Weight¹

306.40

• 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).
• IE : Ionization energy (eV).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.72	kJ/mol	Joback Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	4.049		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Inp	[2128.00; 2128.00]
Inp	2128.00		NIST
Inp	2128.00		NIST
Tboil	620.93	K	Relay (1.0) Calculated Property
Tfus	283.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[364.67; 843.69]	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			1.43740e+01
Coefficient B			1.47768e+00
Coefficient C			-7.36760e-04
Coefficient D			8.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.67	J/mol×K	273.00	Calculated Property
Cp,gas	448.85	J/mol×K	353.78	Calculated Property
Cp,gas	524.63	J/mol×K	434.56	Calculated Property
Cp,gas	592.31	J/mol×K	515.33	Calculated Property
Cp,gas	652.15	J/mol×K	596.11	Calculated Property
Cp,gas	704.45	J/mol×K	676.89	Calculated Property
Cp,gas	749.47	J/mol×K	757.67	Calculated Property
Cp,gas	787.50	J/mol×K	838.44	Calculated Property
Cp,gas	818.81	J/mol×K	919.22	Calculated Property
Cp,gas	843.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017800; 0.0000782]	Pa×s	[386.22; 671.23]	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			-1.36911e+01
Coefficient B			2.84256e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			386.22
Temperature range, max.			671.23
η	0.0017800	Pa×s	386.22	Calculated Property
η	0.0010190	Pa×s	417.89	Calculated Property
η	0.0006311	Pa×s	449.56	Calculated Property
η	0.0004163	Pa×s	481.22	Calculated Property
η	0.0002891	Pa×s	512.89	Calculated Property
η	0.0002094	Pa×s	544.56	Calculated Property
η	0.0001572	Pa×s	576.23	Calculated Property
η	0.0001216	Pa×s	607.90	Calculated Property
η	0.0000964	Pa×s	639.56	Calculated Property
η	0.0000782	Pa×s	671.23	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 3-methylphenyl 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.