Chemical Properties of 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester

InChI

InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3

InChI Key

QWDBCIAVABMJPP-UHFFFAOYSA-N

Formula

C14H18O4

SMILES

CC(C)OC(=O)c1ccccc1C(=O)OC(C)C

Molecular Weight¹

250.29

Other Names

• Phthalic acid, diisopropyl ester
• Diisopropyl phthalate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔfH°gas	-733.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.36	kJ/mol	Joback Calculated Property
ΔvapH°	75.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	2.817		Crippen Calculated Property
McVol	199.240	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[295.40; 1641.00]
Inp	295.40		NIST
Inp	1641.00		NIST
Inp	1633.00		NIST
Inp	295.40		NIST
Inp	1633.00		NIST
Inp	1641.00		NIST
Tboil	550.56	K	Relay (1.0) Calculated Property
Tc	757.27	K	Relay (1.0) Calculated Property
Tfus	278.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.37; 608.72]	J/mol×K	[667.14; 876.37]
Cp,gas	531.37	J/mol×K	667.14	Joback Calculated Property
Cp,gas	546.86	J/mol×K	702.01	Joback Calculated Property
Cp,gas	561.30	J/mol×K	736.88	Joback Calculated Property
Cp,gas	574.69	J/mol×K	771.76	Joback Calculated Property
Cp,gas	587.05	J/mol×K	806.63	Joback Calculated Property
Cp,gas	598.39	J/mol×K	841.50	Joback Calculated Property
Cp,gas	608.72	J/mol×K	876.37	Joback Calculated Property
η	[0.0000826; 0.0028260]	Pa×s	[341.14; 667.14]
η	0.0028260	Pa×s	341.14	Joback Calculated Property
η	0.0010468	Pa×s	395.47	Joback Calculated Property
η	0.0004929	Pa×s	449.81	Joback Calculated Property
η	0.0002730	Pa×s	504.14	Joback Calculated Property
η	0.0001696	Pa×s	558.47	Joback Calculated Property
η	0.0001147	Pa×s	612.81	Joback Calculated Property
η	0.0000826	Pa×s	667.14	Joback Calculated Property
ΔvapH	74.80	kJ/mol	430.00	NIST

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester.

Sources

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

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