Chemical Properties of Succinic acid, dodec-2-en-1-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C29H38O5/c1-2-3-4-5-6-7-8-9-10-14-22-32-28(30)20-21-29(31)33-24-25-16-15-19-27(23-25)34-26-17-12-11-13-18-26/h10-19,23H,2-9,20-22,24H2,1H3/b14-10+

InChI Key

HKUSUYGPOQCWSP-GXDHUFHOSA-N

Formula

C29H38O5

SMILES

CCCCCCCCCC=CCOC(=O)CCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

466.61

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.69	kJ/mol	Joback Calculated Property
log10WS	-7.58		Relay (1.0) Calculated Property
logPoct/wat	7.542		Crippen Calculated Property
McVol	388.400	ml/mol	McGowan Calculated Property
Inp	[3449.00; 3449.00]
Inp	3449.00		NIST
Inp	3449.00		NIST
Tboil	733.69	K	Relay (1.0) Calculated Property
Tfus	288.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.79; 1279.51]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.48480e+01
Coefficient B			2.38872e+00
Coefficient C			-1.33276e-03
Coefficient D			2.38400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	542.79	J/mol×K	273.00	Calculated Property
Cp,gas	673.98	J/mol×K	353.78	Calculated Property
Cp,gas	791.07	J/mol×K	434.56	Calculated Property
Cp,gas	894.83	J/mol×K	515.33	Calculated Property
Cp,gas	986.00	J/mol×K	596.11	Calculated Property
Cp,gas	1065.34	J/mol×K	676.89	Calculated Property
Cp,gas	1133.61	J/mol×K	757.67	Calculated Property
Cp,gas	1191.56	J/mol×K	838.44	Calculated Property
Cp,gas	1239.94	J/mol×K	919.22	Calculated Property
Cp,gas	1279.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001496; 0.0000132]	Pa×s	[583.76; 912.47]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.55475e+01
Coefficient B			3.93443e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			583.76
Temperature range, max.			912.47
η	0.0001496	Pa×s	583.76	Calculated Property
η	0.0001006	Pa×s	620.28	Calculated Property
η	0.0000707	Pa×s	656.81	Calculated Property
η	0.0000516	Pa×s	693.33	Calculated Property
η	0.0000388	Pa×s	729.85	Calculated Property
η	0.0000300	Pa×s	766.38	Calculated Property
η	0.0000238	Pa×s	802.90	Calculated Property
η	0.0000192	Pa×s	839.42	Calculated Property
η	0.0000158	Pa×s	875.95	Calculated Property
η	0.0000132	Pa×s	912.47	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodec-2-en-1-yl 3-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

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