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

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

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.7007		Relay (1.0) Calculated Property
ΔfG°	-467.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.23	kJ/mol	Joback Calculated Property
ΔvapH°	83.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	2.040		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Pc	2393.53	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	1649.00		NIST
Inp	1650.00		NIST
Tboil	575.15 ± 1.00	K	NIST
Tc	753.01	K	Relay (1.0) Calculated Property
Tfus	[316.35; 317.00]	K
Tfus	317.00	K	NIST
Tfus	316.35 ± 0.60	K	NIST
Vc	0.650	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.56; 498.72]	J/mol×K	[622.26; 829.93]
Cp,gas	428.56	J/mol×K	622.26	Joback Calculated Property
Cp,gas	442.44	J/mol×K	656.87	Joback Calculated Property
Cp,gas	455.45	J/mol×K	691.48	Joback Calculated Property
Cp,gas	467.57	J/mol×K	726.09	Joback Calculated Property
Cp,gas	478.83	J/mol×K	760.70	Joback Calculated Property
Cp,gas	489.21	J/mol×K	795.32	Joback Calculated Property
Cp,gas	498.72	J/mol×K	829.93	Joback Calculated Property
Cp,liquid	381.00	J/mol×K	320.00	NIST
η	[0.0001220; 0.0019623]	Pa×s	[348.60; 622.26]
η	0.0019623	Pa×s	348.60	Joback Calculated Property
η	0.0009448	Pa×s	394.21	Joback Calculated Property
η	0.0005294	Pa×s	439.82	Joback Calculated Property
η	0.0003308	Pa×s	485.43	Joback Calculated Property
η	0.0002240	Pa×s	531.04	Joback Calculated Property
η	0.0001614	Pa×s	576.65	Joback Calculated Property
η	0.0001220	Pa×s	622.26	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

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

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