Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-adamantyl) ester

InChI

InChI=1S/C28H40O4/c29-27(31-25-19-7-15-5-16(9-19)10-20(25)8-15)23-3-1-2-4-24(23)28(30)32-26-21-11-17-6-18(13-21)14-22(26)12-17/h15-26H,1-14H2

InChI Key

HGEYBOSNLZZANT-UHFFFAOYSA-N

Formula

C28H40O4

SMILES

O=C(OC1C2CC3CC(C2)CC1C3)C1CCCCC1C(=O)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

440.61

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	43.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.75	kJ/mol	Joback Calculated Property
ΔfusH°	55.65	kJ/mol	Joback Calculated Property
ΔvapH°	94.94	kJ/mol	Joback Calculated Property
log10WS	-6.34		Crippen Calculated Property
logPoct/wat	5.529		Crippen Calculated Property
McVol	344.240	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[3525.00; 3525.00]
Inp	3525.00		NIST
Inp	3525.00		NIST
Tboil	1037.80	K	Joback Calculated Property
Tc	1282.30	K	Joback Calculated Property
Tfus	636.42	K	Joback Calculated Property
Vc	1.306	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1401.65; 1526.81]	J/mol×K	[1037.80; 1282.30]
Cp,gas	1401.65	J/mol×K	1037.80	Joback Calculated Property
Cp,gas	1424.48	J/mol×K	1078.55	Joback Calculated Property
Cp,gas	1446.19	J/mol×K	1119.30	Joback Calculated Property
Cp,gas	1467.04	J/mol×K	1160.05	Joback Calculated Property
Cp,gas	1487.26	J/mol×K	1200.80	Joback Calculated Property
Cp,gas	1507.10	J/mol×K	1241.55	Joback Calculated Property
Cp,gas	1526.81	J/mol×K	1282.30	Joback Calculated Property
η	[0.0549481; 0.0583555]	Pa×s	[636.42; 1037.80]
η	0.0549481	Pa×s	636.42	Joback Calculated Property
η	0.0557672	Pa×s	703.32	Joback Calculated Property
η	0.0564532	Pa×s	770.21	Joback Calculated Property
η	0.0570360	Pa×s	837.11	Joback Calculated Property
η	0.0575374	Pa×s	904.01	Joback Calculated Property
η	0.0579732	Pa×s	970.90	Joback Calculated Property
η	0.0583555	Pa×s	1037.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-adamantyl) ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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