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

InChI

InChI=1S/C20H32O4/c1-4-17(12(2)3)23-18(21)5-6-19(22)24-20-15-8-13-7-14(10-15)11-16(20)9-13/h12-17,20H,4-11H2,1-3H3

InChI Key

WEGGLTRWGIASFY-UHFFFAOYSA-N

Formula

C20H32O4

SMILES

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

Molecular Weight¹

336.47

• 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).
• 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°	43.70	kJ/mol	Joback Calculated Property
logPoct/wat	4.112		Crippen Calculated Property
McVol	274.960	ml/mol	McGowan Calculated Property
Inp	[2422.00; 2422.00]
Inp	2422.00		NIST
Inp	2422.00		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	[391.11; 1022.75]	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			-1.11807e+02
Coefficient B			2.19616e+00
Coefficient C			-1.38480e-03
Coefficient D			3.23200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.11	J/mol×K	273.00	Calculated Property
Cp,gas	506.14	J/mol×K	353.78	Calculated Property
Cp,gas	607.56	J/mol×K	434.56	Calculated Property
Cp,gas	696.42	J/mol×K	515.33	Calculated Property
Cp,gas	773.72	J/mol×K	596.11	Calculated Property
Cp,gas	840.50	J/mol×K	676.89	Calculated Property
Cp,gas	897.77	J/mol×K	757.67	Calculated Property
Cp,gas	946.55	J/mol×K	838.44	Calculated Property
Cp,gas	987.87	J/mol×K	919.22	Calculated Property
Cp,gas	1022.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042167; 0.0012679]	Pa×s	[411.64; 692.70]	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			-8.43049e+00
Coefficient B			1.21919e+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.			411.64
Temperature range, max.			692.70
η	0.0042167	Pa×s	411.64	Calculated Property
η	0.0034219	Pa×s	442.87	Calculated Property
η	0.0028544	Pa×s	474.10	Calculated Property
η	0.0024350	Pa×s	505.33	Calculated Property
η	0.0021160	Pa×s	536.56	Calculated Property
η	0.0018674	Pa×s	567.78	Calculated Property
η	0.0016696	Pa×s	599.01	Calculated Property
η	0.0015095	Pa×s	630.24	Calculated Property
η	0.0013777	Pa×s	661.47	Calculated Property
η	0.0012679	Pa×s	692.70	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-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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