Chemical Properties of Isophthalic acid, ethyl 1-phenylpropyl ester

InChI

InChI=1S/C19H20O4/c1-3-17(14-9-6-5-7-10-14)23-19(21)16-12-8-11-15(13-16)18(20)22-4-2/h5-13,17H,3-4H2,1-2H3

InChI Key

QCQQWHIMVURXKR-UHFFFAOYSA-N

Formula

C19H20O4

SMILES

CCOC(=O)c1cccc(C(=O)OC(CC)c2ccccc2)c1

Molecular Weight¹

312.36

• 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	0.7808		Relay (1.0) Calculated Property
ΔfH°gas	-599.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.87	kJ/mol	Joback Calculated Property
ΔvapH°	99.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	4.171		Crippen Calculated Property
McVol	245.930	ml/mol	McGowan Calculated Property
Pc	1769.87	kPa	Joback Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	640.67	K	Relay (1.0) Calculated Property
Tc	882.04	K	Relay (1.0) Calculated Property
Tfus	315.55	K	Relay (1.0) Calculated Property
Vc	0.896	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	[715.51; 783.57]	J/mol×K	[808.66; 1034.41]
Cp,gas	715.51	J/mol×K	808.66	Joback Calculated Property
Cp,gas	730.25	J/mol×K	846.28	Joback Calculated Property
Cp,gas	743.57	J/mol×K	883.91	Joback Calculated Property
Cp,gas	755.53	J/mol×K	921.53	Joback Calculated Property
Cp,gas	766.15	J/mol×K	959.16	Joback Calculated Property
Cp,gas	775.48	J/mol×K	996.78	Joback Calculated Property
Cp,gas	783.57	J/mol×K	1034.41	Joback Calculated Property
η	[0.0000456; 0.0009684]	Pa×s	[438.91; 808.66]
η	0.0009684	Pa×s	438.91	Joback Calculated Property
η	0.0004254	Pa×s	500.53	Joback Calculated Property
η	0.0002238	Pa×s	562.16	Joback Calculated Property
η	0.0001337	Pa×s	623.78	Joback Calculated Property
η	0.0000876	Pa×s	685.41	Joback Calculated Property
η	0.0000616	Pa×s	747.03	Joback Calculated Property
η	0.0000456	Pa×s	808.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, ethyl 1-phenylpropyl ester.

Sources

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

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