Chemical Properties of Dipropyl isophthalate

InChI

InChI=1S/C14H18O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3

InChI Key

FZNKCFJDFGDMKU-UHFFFAOYSA-N

Formula

C14H18O4

SMILES

CCCOC(=O)c1cccc(C(=O)OCCC)c1

Molecular Weight¹

250.29

Other Names

• 1,3-benzenedicarboxylic acid, dipropyl ester

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7876		Relay (1.0) Calculated Property
ΔfH°gas	-726.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.41	kJ/mol	Joback Calculated Property
ΔvapH°	73.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	2.820		Crippen Calculated Property
McVol	199.240	ml/mol	McGowan Calculated Property
Pc	2000.12	kPa	Joback Calculated Property
Inp	[1828.00; 1829.00]
Inp	1828.00		NIST
Inp	1828.00		NIST
Inp	1828.00		NIST
Inp	1829.00		NIST
Inp	1828.00		NIST
Tboil	594.78	K	Relay (1.0) Calculated Property
Tc	773.20	K	Relay (1.0) Calculated Property
Tfus	285.41	K	Relay (1.0) Calculated Property
Vc	0.753	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.38; 605.45]	J/mol×K	[668.02; 869.91]
Cp,gas	530.38	J/mol×K	668.02	Joback Calculated Property
Cp,gas	545.26	J/mol×K	701.67	Joback Calculated Property
Cp,gas	559.18	J/mol×K	735.32	Joback Calculated Property
Cp,gas	572.15	J/mol×K	768.96	Joback Calculated Property
Cp,gas	584.18	J/mol×K	802.61	Joback Calculated Property
Cp,gas	595.28	J/mol×K	836.26	Joback Calculated Property
Cp,gas	605.45	J/mol×K	869.91	Joback Calculated Property
η	[0.0000960; 0.0016800]	Pa×s	[371.14; 668.02]
η	0.0016800	Pa×s	371.14	Joback Calculated Property
η	0.0007875	Pa×s	420.62	Joback Calculated Property
η	0.0004330	Pa×s	470.10	Joback Calculated Property
η	0.0002668	Pa×s	519.58	Joback Calculated Property
η	0.0001788	Pa×s	569.06	Joback Calculated Property
η	0.0001278	Pa×s	618.54	Joback Calculated Property
η	0.0000960	Pa×s	668.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dipropyl isophthalate.

Sources

• Cheméo Relay (1.0)
• 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.