Chemical Properties of Succinic acid, 3-methylbut-2-yl adamant-2-yl ester

InChI

InChI=1S/C19H30O4/c1-11(2)12(3)22-17(20)4-5-18(21)23-19-15-7-13-6-14(9-15)10-16(19)8-13/h11-16,19H,4-10H2,1-3H3

InChI Key

PWIRPKYRNGEDNO-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

322.44

• 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°	41.10	kJ/mol	Joback Calculated Property
logPoct/wat	3.722		Crippen Calculated Property
McVol	260.870	ml/mol	McGowan Calculated Property
Inp	[2334.00; 2334.00]
Inp	2334.00		NIST
Inp	2334.00		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	[369.90; 971.16]	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			-1.10898e+02
Coefficient B			2.10116e+00
Coefficient C			-1.33040e-03
Coefficient D			3.11300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.90	J/mol×K	273.00	Calculated Property
Cp,gas	479.72	J/mol×K	353.78	Calculated Property
Cp,gas	576.49	J/mol×K	434.56	Calculated Property
Cp,gas	661.19	J/mol×K	515.33	Calculated Property
Cp,gas	734.81	J/mol×K	596.11	Calculated Property
Cp,gas	798.34	J/mol×K	676.89	Calculated Property
Cp,gas	852.75	J/mol×K	757.67	Calculated Property
Cp,gas	899.04	J/mol×K	838.44	Calculated Property
Cp,gas	938.18	J/mol×K	919.22	Calculated Property
Cp,gas	971.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042362; 0.0013421]	Pa×s	[400.37; 677.50]	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			-8.27407e+00
Coefficient B			1.12503e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			400.37
Temperature range, max.			677.50
η	0.0042362	Pa×s	400.37	Calculated Property
η	0.0034659	Pa×s	431.16	Calculated Property
η	0.0029126	Pa×s	461.96	Calculated Property
η	0.0025014	Pa×s	492.75	Calculated Property
η	0.0021871	Pa×s	523.54	Calculated Property
η	0.0019410	Pa×s	554.33	Calculated Property
η	0.0017444	Pa×s	585.13	Calculated Property
η	0.0015845	Pa×s	615.92	Calculated Property
η	0.0014525	Pa×s	646.71	Calculated Property
η	0.0013421	Pa×s	677.50	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl adamant-2-yl 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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