Chemical Properties of Dipent-4-enyl phthalate (CAS 176533-57-6)

InChI

InChI=1S/C18H22O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h3-4,7-8,11-12H,1-2,5-6,9-10,13-14H2

InChI Key

CMNXQCDLELQIQH-UHFFFAOYSA-N

Formula

C18H22O4

SMILES

C=CCCCOC(=O)c1ccccc1C(=O)OCCCC=C

Molecular Weight¹

302.36

CAS

176533-57-6

Other Names

• 1,2-Benzenedicarboxylic acid, dipent-4-enyl ester
• Dipent-4-enyl-1,2-benzenedicarboxylate
• Phthalic acid, di(pent-4-enyl) ester

• 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	0.8464		Relay (1.0) Calculated Property
ΔfH°gas	-610.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	89.37	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	247.000	ml/mol	McGowan Calculated Property
Pc	1554.90	kPa	Joback Calculated Property
Inp	[2144.00; 2145.00]
Inp	2144.00		NIST
Inp	2145.00		NIST
Tboil	647.33	K	Relay (1.0) Calculated Property
Tc	829.51	K	Relay (1.0) Calculated Property
Tfus	256.52	K	Relay (1.0) Calculated Property
Vc	0.876	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	[698.28; 773.07]	J/mol×K	[752.90; 952.79]
Cp,gas	698.28	J/mol×K	752.90	Joback Calculated Property
Cp,gas	713.33	J/mol×K	786.22	Joback Calculated Property
Cp,gas	727.31	J/mol×K	819.53	Joback Calculated Property
Cp,gas	740.25	J/mol×K	852.85	Joback Calculated Property
Cp,gas	752.17	J/mol×K	886.16	Joback Calculated Property
Cp,gas	763.10	J/mol×K	919.48	Joback Calculated Property
Cp,gas	773.07	J/mol×K	952.79	Joback Calculated Property
η	[0.0000638; 0.0011435]	Pa×s	[412.70; 752.90]
η	0.0011435	Pa×s	412.70	Joback Calculated Property
η	0.0005285	Pa×s	469.40	Joback Calculated Property
η	0.0002885	Pa×s	526.10	Joback Calculated Property
η	0.0001772	Pa×s	582.80	Joback Calculated Property
η	0.0001186	Pa×s	639.50	Joback Calculated Property
η	0.0000848	Pa×s	696.20	Joback Calculated Property
η	0.0000638	Pa×s	752.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dipent-4-enyl phthalate.

Sources

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

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