Chemical Properties of Di(E)-hex-3-enyl phthalate

InChI

InChI=1S/C20H26O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3/b7-5+,8-6+

InChI Key

GQBFYDWVMPDPTM-KQQUZDAGSA-N

Formula

C20H26O4

SMILES

CCC=CCCOC(=O)c1ccccc1C(=O)OCCC=CCC

Molecular Weight¹

330.42

Other Names

• 1,2-Benzenedicarboxylic acid, di(E)-hex-3-enyl ester
• Di(E)-hex-3-enyl-1,2-benzenedicarboxylate

• 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	0.8235		Relay (1.0) Calculated Property
ΔfG°	-87.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-697.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.19	kJ/mol	Joback Calculated Property
ΔvapH°	95.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	4.713		Crippen Calculated Property
McVol	275.180	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[2342.00; 2342.00]
Inp	2342.00		NIST
Inp	2342.00		NIST
Inp	2342.00		NIST
Tboil	636.02	K	Relay (1.0) Calculated Property
Tc	836.69	K	Relay (1.0) Calculated Property
Tfus	241.11	K	Relay (1.0) Calculated Property
Vc	0.971	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[824.64; 901.72]	J/mol×K	[849.56; 1058.23]
Cp,gas	824.64	J/mol×K	849.56	Joback Calculated Property
Cp,gas	839.86	J/mol×K	884.34	Joback Calculated Property
Cp,gas	854.07	J/mol×K	919.12	Joback Calculated Property
Cp,gas	867.31	J/mol×K	953.90	Joback Calculated Property
Cp,gas	879.63	J/mol×K	988.67	Joback Calculated Property
Cp,gas	891.09	J/mol×K	1023.45	Joback Calculated Property
Cp,gas	901.72	J/mol×K	1058.23	Joback Calculated Property
η	[0.0000417; 0.0005054]	Pa×s	[488.26; 849.56]
η	0.0005054	Pa×s	488.26	Joback Calculated Property
η	0.0002654	Pa×s	548.48	Joback Calculated Property
η	0.0001583	Pa×s	608.69	Joback Calculated Property
η	0.0001036	Pa×s	668.91	Joback Calculated Property
η	0.0000727	Pa×s	729.13	Joback Calculated Property
η	0.0000539	Pa×s	789.34	Joback Calculated Property
η	0.0000417	Pa×s	849.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Di(E)-hex-3-enyl phthalate.

Sources

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

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