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

InChI

InChI=1S/C20H23ClO4/c21-16-2-1-3-17(11-16)24-18(22)4-5-19(23)25-20-14-7-12-6-13(9-14)10-15(20)8-12/h1-3,11-15,20H,4-10H2

InChI Key

MYTPUOPRBSBMIW-UHFFFAOYSA-N

Formula

C20H23ClO4

SMILES

O=C(CCC(=O)OC1C2CC3CC(C2)CC1C3)Oc1cccc(Cl)c1

Molecular Weight¹

362.85

• 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).
• IE : Ionization energy (eV).
• 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°	48.59	kJ/mol	Joback Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	263.440	ml/mol	McGowan Calculated Property
Inp	[2874.00; 2874.00]
Inp	2874.00		NIST
Inp	2874.00		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, 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	[350.44; 908.38]	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			-1.15158e+02
Coefficient B			2.05270e+00
Coefficient C			-1.36296e-03
Coefficient D			3.33800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.44	J/mol×K	273.00	Calculated Property
Cp,gas	455.24	J/mol×K	353.78	Calculated Property
Cp,gas	546.87	J/mol×K	434.56	Calculated Property
Cp,gas	626.39	J/mol×K	515.33	Calculated Property
Cp,gas	694.86	J/mol×K	596.11	Calculated Property
Cp,gas	753.34	J/mol×K	676.89	Calculated Property
Cp,gas	802.87	J/mol×K	757.67	Calculated Property
Cp,gas	844.52	J/mol×K	838.44	Calculated Property
Cp,gas	879.34	J/mol×K	919.22	Calculated Property
Cp,gas	908.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035875; 0.0015554]	Pa×s	[510.50; 760.74]	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			-8.17100e+00
Coefficient B			1.29703e+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.			510.50
Temperature range, max.			760.74
η	0.0035875	Pa×s	510.50	Calculated Property
η	0.0031463	Pa×s	538.30	Calculated Property
η	0.0027951	Pa×s	566.11	Calculated Property
η	0.0025109	Pa×s	593.91	Calculated Property
η	0.0022772	Pa×s	621.72	Calculated Property
η	0.0020827	Pa×s	649.52	Calculated Property
η	0.0019188	Pa×s	677.33	Calculated Property
η	0.0017792	Pa×s	705.13	Calculated Property
η	0.0016593	Pa×s	732.94	Calculated Property
η	0.0015554	Pa×s	760.74	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 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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