Chemical Properties of Terephthalic acid, 4,4-dimethylpent-2-yl propyl ester

InChI

InChI=1S/C18H26O4/c1-6-12-21-16(19)13-8-10-14(11-9-13)17(20)22-15(7-2)18(3,4)5/h8-11,15H,6-7,12H2,1-5H3

InChI Key

GFSUUEIJZZJFQT-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCOC(=O)c1ccc(C(=O)OC(CC)C(C)(C)C)cc1

Molecular Weight¹

306.40

• 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).
• 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	0.8120		Relay (1.0) Calculated Property
ΔfH°gas	-820.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.66	kJ/mol	Joback Calculated Property
ΔvapH°	87.10	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	4.235		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	616.59	K	Relay (1.0) Calculated Property
Tc	802.82	K	Relay (1.0) Calculated Property
Tfus	322.83	K	Relay (1.0) Calculated Property
Vc	0.927	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[763.36; 843.81]	J/mol×K	[791.81; 1001.25]
Cp,gas	763.36	J/mol×K	791.81	Joback Calculated Property
Cp,gas	779.50	J/mol×K	826.72	Joback Calculated Property
Cp,gas	794.50	J/mol×K	861.62	Joback Calculated Property
Cp,gas	808.40	J/mol×K	896.53	Joback Calculated Property
Cp,gas	821.22	J/mol×K	931.44	Joback Calculated Property
Cp,gas	833.02	J/mol×K	966.34	Joback Calculated Property
Cp,gas	843.81	J/mol×K	1001.25	Joback Calculated Property
η	[0.0000533; 0.0007844]	Pa×s	[463.30; 791.81]
η	0.0007844	Pa×s	463.30	Joback Calculated Property
η	0.0003954	Pa×s	518.05	Joback Calculated Property
η	0.0002272	Pa×s	572.80	Joback Calculated Property
η	0.0001438	Pa×s	627.55	Joback Calculated Property
η	0.0000980	Pa×s	682.31	Joback Calculated Property
η	0.0000707	Pa×s	737.06	Joback Calculated Property
η	0.0000533	Pa×s	791.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4,4-dimethylpent-2-yl propyl 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.