Chemical Properties of Isophthalic acid, hexyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C19H26O4/c1-4-5-6-7-12-22-18(20)16-9-8-10-17(14-16)19(21)23-13-11-15(2)3/h8-11,14H,4-7,12-13H2,1-3H3

InChI Key

YNNIZWILVAJUEW-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)OCC=C(C)C)c1

Molecular Weight¹

318.41

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8800		Relay (... Calculated Property
ΔfG°	-184.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.08	kJ/mol	Joback Calculated Property
ΔvapH°	89.04	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-5.68		Relay (... Calculated Property
logPoct/wat	4.547		Crippen Calculated Property
McVol	265.390	ml/mol	McGowan Calculated Property
Pc	1505.81	kPa	Joback Calculated Property
Inp	[2448.00; 2448.00]
Inp	2448.00		NIST
Inp	2448.00		NIST
Tboil	631.47	K	Relay (... Calculated Property
Tc	827.79	K	Relay (... Calculated Property
Tfus	287.62	K	Relay (... Calculated Property
Vc	0.973	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.70; 870.92]	J/mol×K	[822.40; 1028.52]
Cp,gas	792.70	J/mol×K	822.40	Joback Calculated Property
Cp,gas	808.27	J/mol×K	856.75	Joback Calculated Property
Cp,gas	822.78	J/mol×K	891.11	Joback Calculated Property
Cp,gas	836.27	J/mol×K	925.46	Joback Calculated Property
Cp,gas	848.77	J/mol×K	959.82	Joback Calculated Property
Cp,gas	860.31	J/mol×K	994.17	Joback Calculated Property
Cp,gas	870.92	J/mol×K	1028.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexyl 3-methylbut-2-en-1-yl ester.

Sources

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

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