Chemical Properties of Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, cis- (CAS 943-28-2)

InChI

InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)/t8-,9+

InChI Key

QVQKEGYITJBHRQ-DTORHVGOSA-N

Formula

C11H20O2

SMILES

CC(C)(C)C1CCC(C(=O)O)CC1

Molecular Weight¹

184.28

CAS

943-28-2

Other Names

• Cyclohexanecarboxylic acid, 4-tert-butyl-, cis-
• cis-4-tert-Butylcyclohexanecarboxylic acid

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[215.14; 590.81]	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			-8.66500e+01
Coefficient B			1.32106e+00
Coefficient C			-8.44600e-04
Coefficient D			2.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.14	J/mol×K	273.00	Calculated Property
Cp,gas	283.90	J/mol×K	353.78	Calculated Property
Cp,gas	344.43	J/mol×K	434.56	Calculated Property
Cp,gas	397.35	J/mol×K	515.33	Calculated Property
Cp,gas	443.30	J/mol×K	596.11	Calculated Property
Cp,gas	482.92	J/mol×K	676.89	Calculated Property
Cp,gas	516.85	J/mol×K	757.67	Calculated Property
Cp,gas	545.71	J/mol×K	838.44	Calculated Property
Cp,gas	570.16	J/mol×K	919.22	Calculated Property
Cp,gas	590.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019744; 0.0002578]	Pa×s	[379.89; 581.28]	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			-1.21035e+01
Coefficient B			2.23226e+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.			379.89
Temperature range, max.			581.28
η	0.0019744	Pa×s	379.89	Calculated Property
η	0.0014239	Pa×s	402.27	Calculated Property
η	0.0010629	Pa×s	424.64	Calculated Property
η	0.0008170	Pa×s	447.02	Calculated Property
η	0.0006439	Pa×s	469.40	Calculated Property
η	0.0005186	Pa×s	491.77	Calculated Property
η	0.0004256	Pa×s	514.15	Calculated Property
η	0.0003551	Pa×s	536.53	Calculated Property
η	0.0003007	Pa×s	558.90	Calculated Property
η	0.0002578	Pa×s	581.28	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, cis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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