Chemical Properties of Succinic acid, cyclohexylmethyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C19H26O4/c1-14-7-6-10-17(15(14)2)23-19(21)12-11-18(20)22-13-16-8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,11-13H2,1-2H3

InChI Key

IRCNTFJRJMCDQY-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OCC2CCCCC2)c1C

Molecular Weight¹

318.41

• 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).
• 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°	38.80	kJ/mol	Joback Calculated Property
logPoct/wat	4.113		Crippen Calculated Property
McVol	258.830	ml/mol	McGowan Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		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, 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	[350.94; 876.24]	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			-3.44770e+01
Coefficient B			1.62344e+00
Coefficient C			-7.98720e-04
Coefficient D			8.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.94	J/mol×K	273.00	Calculated Property
Cp,gas	443.70	J/mol×K	353.78	Calculated Property
Cp,gas	527.23	J/mol×K	434.56	Calculated Property
Cp,gas	601.79	J/mol×K	515.33	Calculated Property
Cp,gas	667.67	J/mol×K	596.11	Calculated Property
Cp,gas	725.13	J/mol×K	676.89	Calculated Property
Cp,gas	774.44	J/mol×K	757.67	Calculated Property
Cp,gas	815.89	J/mol×K	838.44	Calculated Property
Cp,gas	849.73	J/mol×K	919.22	Calculated Property
Cp,gas	876.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009525; 0.0000807]	Pa×s	[447.39; 717.45]	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			-1.35147e+01
Coefficient B			2.93409e+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.			447.39
Temperature range, max.			717.45
η	0.0009525	Pa×s	447.39	Calculated Property
η	0.0006307	Pa×s	477.40	Calculated Property
η	0.0004385	Pa×s	507.40	Calculated Property
η	0.0003175	Pa×s	537.41	Calculated Property
η	0.0002379	Pa×s	567.42	Calculated Property
η	0.0001835	Pa×s	597.42	Calculated Property
η	0.0001451	Pa×s	627.43	Calculated Property
η	0.0001172	Pa×s	657.44	Calculated Property
η	0.0000964	Pa×s	687.44	Calculated Property
η	0.0000807	Pa×s	717.45	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,3-dimethylphenyl 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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