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

InChI

InChI=1S/C29H38O4/c1-2-3-4-5-6-7-8-9-10-17-24-32-27(30)22-23-28(31)33-29(25-18-13-11-14-19-25)26-20-15-12-16-21-26/h10-21,29H,2-9,22-24H2,1H3/b17-10+

InChI Key

FKFITBHKOPIFCK-LICLKQGHSA-N

Formula

C29H38O4

SMILES

CCCCCCCCCC=CCOC(=O)CCC(=O)OC(c1ccccc1)c1ccccc1

Molecular Weight¹

450.61

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_c : Critical 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°	64.36	kJ/mol	Joback Calculated Property
ΔvapH°	130.59	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	7.339		Crippen Calculated Property
McVol	382.530	ml/mol	McGowan Calculated Property
Inp	[3340.00; 3340.00]
Inp	3340.00		NIST
Inp	3340.00		NIST
Tboil	693.92	K	Relay (1.0) Calculated Property
Tc	948.40	K	Relay (1.0) Calculated Property
Tfus	302.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[524.52; 1264.59]	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			-5.63290e+01
Coefficient B			2.51732e+00
Coefficient C			-1.51400e-03
Coefficient D			3.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.52	J/mol×K	273.00	Calculated Property
Cp,gas	658.82	J/mol×K	353.78	Calculated Property
Cp,gas	777.75	J/mol×K	434.56	Calculated Property
Cp,gas	882.32	J/mol×K	515.33	Calculated Property
Cp,gas	973.55	J/mol×K	596.11	Calculated Property
Cp,gas	1052.43	J/mol×K	676.89	Calculated Property
Cp,gas	1119.97	J/mol×K	757.67	Calculated Property
Cp,gas	1177.18	J/mol×K	838.44	Calculated Property
Cp,gas	1225.05	J/mol×K	919.22	Calculated Property
Cp,gas	1264.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002980; 0.0000162]	Pa×s	[534.01; 888.54]	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			-1.54244e+01
Coefficient B			3.90142e+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.			534.01
Temperature range, max.			888.54
η	0.0002980	Pa×s	534.01	Calculated Property
η	0.0001804	Pa×s	573.40	Calculated Property
η	0.0001165	Pa×s	612.79	Calculated Property
η	0.0000793	Pa×s	652.19	Calculated Property
η	0.0000564	Pa×s	691.58	Calculated Property
η	0.0000416	Pa×s	730.97	Calculated Property
η	0.0000317	Pa×s	770.36	Calculated Property
η	0.0000248	Pa×s	809.76	Calculated Property
η	0.0000198	Pa×s	849.15	Calculated Property
η	0.0000162	Pa×s	888.54	Calculated Property

Similar Compounds

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