Chemical Properties of Terephthalic acid, butyl hept-3-yl ester

InChI

InChI=1S/C19H28O4/c1-4-7-9-17(6-3)23-19(21)16-12-10-15(11-13-16)18(20)22-14-8-5-2/h10-13,17H,4-9,14H2,1-3H3

InChI Key

XYCUZLUOZKLAJV-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCOC(=O)c1ccc(C(=O)OC(CC)CCCC)cc1

Molecular Weight¹

320.42

Other Names

• Terephthalic acid, butyl heptyl-3 ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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	0.9306		Relay (1.0) Calculated Property
ΔfG°	-258.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-832.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.67	kJ/mol	Joback Calculated Property
ΔvapH°	96.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	4.769		Crippen Calculated Property
McVol	269.690	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[2251.00; 2251.00]
Inp	2251.00		NIST
Inp	2251.00		NIST
Tboil	625.54	K	Relay (1.0) Calculated Property
Tc	816.44	K	Relay (1.0) Calculated Property
Tfus	266.98	K	Relay (1.0) Calculated Property
Vc	1.001	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[819.59; 899.64]	J/mol×K	[817.92; 1019.49]
Cp,gas	819.59	J/mol×K	817.92	Joback Calculated Property
Cp,gas	835.66	J/mol×K	851.51	Joback Calculated Property
Cp,gas	850.61	J/mol×K	885.11	Joback Calculated Property
Cp,gas	864.46	J/mol×K	918.70	Joback Calculated Property
Cp,gas	877.24	J/mol×K	952.30	Joback Calculated Property
Cp,gas	888.96	J/mol×K	985.89	Joback Calculated Property
Cp,gas	899.64	J/mol×K	1019.49	Joback Calculated Property
η	[0.0000577; 0.0007448]	Pa×s	[472.15; 817.92]
η	0.0007448	Pa×s	472.15	Joback Calculated Property
η	0.0003857	Pa×s	529.78	Joback Calculated Property
η	0.0002273	Pa×s	587.41	Joback Calculated Property
η	0.0001472	Pa×s	645.03	Joback Calculated Property
η	0.0001024	Pa×s	702.66	Joback Calculated Property
η	0.0000752	Pa×s	760.29	Joback Calculated Property
η	0.0000577	Pa×s	817.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl hept-3-yl ester.

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.