Chemical Properties of 1,4-Benzenedicarboxylic acid, diethyl ester (CAS 636-09-9)

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChI Key

ONIHPYYWNBVMID-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

CCOC(=O)c1ccc(C(=O)OCC)cc1

Molecular Weight¹

222.24

CAS

636-09-9

Other Names

• Terephthalic acid, diethyl ester
• Diethyl terephthalate
• Diethyl ester of 1,4-Benzenedicarboxylic acid
• Diethyl p-phthalate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-314.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.55	kJ/mol	Joback Calculated Property
ΔfusH°	26.06	kJ/mol	Joback Calculated Property
ΔvapH°	63.56	kJ/mol	Joback Calculated Property
log10WS	-2.79		Crippen Calculated Property
logPoct/wat	2.040		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Pc	2597.78	kPa	Joback Calculated Property
Inp	[1613.00; 1650.00]
Inp	1649.00		NIST
Inp	1650.00		NIST
Inp	Outlier 1613.00		NIST
Inp	1650.00		NIST
Inp	1650.00		NIST
Inp	1649.00		NIST
Tboil	575.15 ± 1.00	K	NIST
Tc	870.02	K	Joback Calculated Property
Tfus	[316.35; 317.00]	K
Tfus	317.00	K	NIST
Tfus	316.35 ± 0.60	K	NIST
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.51; 504.49]	J/mol×K	[658.20; 870.02]
Cp,gas	436.51	J/mol×K	658.20	Joback Calculated Property
Cp,gas	449.86	J/mol×K	693.50	Joback Calculated Property
Cp,gas	462.40	J/mol×K	728.81	Joback Calculated Property
Cp,gas	474.13	J/mol×K	764.11	Joback Calculated Property
Cp,gas	485.06	J/mol×K	799.41	Joback Calculated Property
Cp,gas	495.18	J/mol×K	834.72	Joback Calculated Property
Cp,gas	504.49	J/mol×K	870.02	Joback Calculated Property
Cp,liquid	381.00	J/mol×K	320.00	NIST
η	[0.0001492; 0.0011118]	Pa×s	[408.26; 658.20]
η	0.0011118	Pa×s	408.26	Joback Calculated Property
η	0.0006814	Pa×s	449.92	Joback Calculated Property
η	0.0004537	Pa×s	491.57	Joback Calculated Property
η	0.0003219	Pa×s	533.23	Joback Calculated Property
η	0.0002401	Pa×s	574.89	Joback Calculated Property
η	0.0001863	Pa×s	616.54	Joback Calculated Property
η	0.0001492	Pa×s	658.20	Joback Calculated Property
ΔfusH	[24.69; 24.69]	kJ/mol	[317.20; 317.20]
ΔfusH	24.69	kJ/mol	317.20	NIST
ΔfusH	24.69	kJ/mol	317.20	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[415.00; 415.20]	K	[0.30; 0.30]
Tboilr	415.20	K	0.30	NIST
Tboilr	415.00	K	0.30	NIST

Similar Compounds

Find more compounds similar to 1,4-Benzenedicarboxylic acid, diethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.