Chemical Properties of Isophthalic acid, 2,5-dimethylphenyl ethyl ester

InChI

InChI=1S/C18H18O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-10-12(2)8-9-13(16)3/h5-11H,4H2,1-3H3

InChI Key

WSQSJFBCVLXBIA-UHFFFAOYSA-N

Formula

C18H18O4

SMILES

CCOC(=O)c1cccc(C(=O)Oc2cc(C)ccc2C)c1

Molecular Weight¹

298.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8138		Relay (1.0) Calculated Property
ΔfH°gas	-599.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.03	kJ/mol	Joback Calculated Property
ΔvapH°	95.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	3.699		Crippen Calculated Property
McVol	231.840	ml/mol	McGowan Calculated Property
Pc	1859.51	kPa	Joback Calculated Property
Inp	[2430.00; 2430.00]
Inp	2430.00		NIST
Inp	2430.00		NIST
Tboil	643.28	K	Relay (1.0) Calculated Property
Tc	887.41	K	Relay (1.0) Calculated Property
Tfus	320.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.05; 722.57]	J/mol×K	[796.18; 1022.96]
Cp,gas	657.05	J/mol×K	796.18	Joback Calculated Property
Cp,gas	671.22	J/mol×K	833.98	Joback Calculated Property
Cp,gas	684.06	J/mol×K	871.77	Joback Calculated Property
Cp,gas	695.59	J/mol×K	909.57	Joback Calculated Property
Cp,gas	705.84	J/mol×K	947.37	Joback Calculated Property
Cp,gas	714.82	J/mol×K	985.16	Joback Calculated Property
Cp,gas	722.57	J/mol×K	1022.96	Joback Calculated Property
η	[0.0000579; 0.0006253]	Pa×s	[467.68; 796.18]
η	0.0006253	Pa×s	467.68	Joback Calculated Property
η	0.0003416	Pa×s	522.43	Joback Calculated Property
η	0.0002093	Pa×s	577.18	Joback Calculated Property
η	0.0001396	Pa×s	631.93	Joback Calculated Property
η	0.0000993	Pa×s	686.68	Joback Calculated Property
η	0.0000743	Pa×s	741.43	Joback Calculated Property
η	0.0000579	Pa×s	796.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,5-dimethylphenyl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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