Chemical Properties of Succinic acid, isohexyl 4-phenoxybenzyl ester

InChI

InChI=1S/C23H28O5/c1-18(2)7-6-16-26-22(24)14-15-23(25)27-17-19-10-12-21(13-11-19)28-20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3

InChI Key

DPBNZFZIQVWBCC-UHFFFAOYSA-N

Formula

C23H28O5

SMILES

CC(C)CCCOC(=O)CCC(=O)OCc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

384.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.42	kJ/mol	Joback Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	5.282		Crippen Calculated Property
McVol	308.160	ml/mol	McGowan Calculated Property
Inp	[2819.00; 2819.00]
Inp	2819.00		NIST
Inp	2819.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[973.60; 1034.06]	J/mol×K	[922.60; 1142.09]
Cp,gas	973.60	J/mol×K	922.60	Joback Calculated Property
Cp,gas	987.46	J/mol×K	959.18	Joback Calculated Property
Cp,gas	999.76	J/mol×K	995.76	Joback Calculated Property
Cp,gas	1010.54	J/mol×K	1032.34	Joback Calculated Property
Cp,gas	1019.82	J/mol×K	1068.92	Joback Calculated Property
Cp,gas	1027.65	J/mol×K	1105.51	Joback Calculated Property
Cp,gas	1034.06	J/mol×K	1142.09	Joback Calculated Property
η	[0.0000189; 0.0004027]	Pa×s	[506.22; 922.60]
η	0.0004027	Pa×s	506.22	Joback Calculated Property
η	0.0001779	Pa×s	575.62	Joback Calculated Property
η	0.0000937	Pa×s	645.01	Joback Calculated Property
η	0.0000559	Pa×s	714.41	Joback Calculated Property
η	0.0000365	Pa×s	783.81	Joback Calculated Property
η	0.0000256	Pa×s	853.20	Joback Calculated Property
η	0.0000189	Pa×s	922.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isohexyl 4-phenoxybenzyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.