Chemical Properties of Terephthalic acid, di(but-3-enyl) ester

InChI

InChI=1S/C16H18O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h3-4,7-10H,1-2,5-6,11-12H2

InChI Key

TVHCSJSGHDPGEW-UHFFFAOYSA-N

Formula

C16H18O4

SMILES

C=CCCOC(=O)c1ccc(C(=O)OCCC=C)cc1

Molecular Weight¹

274.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_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	0.7724		Relay (1.0) Calculated Property
ΔfusH°	37.03	kJ/mol	Joback Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.152		Crippen Calculated Property
McVol	218.820	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[2108.00; 2108.00]
Inp	2108.00		NIST
Inp	2108.00		NIST
Tboil	630.26	K	Relay (1.0) Calculated Property
Tc	809.32	K	Relay (1.0) Calculated Property
Tfus	292.98	K	Relay (1.0) Calculated Property
Vc	0.776	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[589.25; 661.37]	J/mol×K	[707.14; 910.74]
Cp,gas	589.25	J/mol×K	707.14	Joback Calculated Property
Cp,gas	603.75	J/mol×K	741.07	Joback Calculated Property
Cp,gas	617.22	J/mol×K	775.01	Joback Calculated Property
Cp,gas	629.70	J/mol×K	808.94	Joback Calculated Property
Cp,gas	641.20	J/mol×K	842.87	Joback Calculated Property
Cp,gas	651.75	J/mol×K	876.81	Joback Calculated Property
Cp,gas	661.37	J/mol×K	910.74	Joback Calculated Property
η	[0.0000828; 0.0013786]	Pa×s	[390.16; 707.14]
η	0.0013786	Pa×s	390.16	Joback Calculated Property
η	0.0006523	Pa×s	442.99	Joback Calculated Property
η	0.0003620	Pa×s	495.82	Joback Calculated Property
η	0.0002250	Pa×s	548.65	Joback Calculated Property
η	0.0001521	Pa×s	601.48	Joback Calculated Property
η	0.0001095	Pa×s	654.31	Joback Calculated Property
η	0.0000828	Pa×s	707.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(but-3-enyl) ester.

Sources

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

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