Chemical Properties of 1-Cyclohexenylacetic acid (CAS 18294-87-6)

InChI

InChI=1S/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,9,10)

InChI Key

KDFBPHXESBPHTK-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

O=C(O)CC1=CCCCC1

Molecular Weight¹

140.18

CAS

18294-87-6

Other Names

• 1-Cyclohexene-1-acetic acid
• cyclohex-1-enylacetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.51; 386.91]	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			-4.92490e+01
Coefficient B			8.47700e-01
Coefficient C			-5.40640e-04
Coefficient D			1.29100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.51	J/mol×K	273.00	Calculated Property
Cp,gas	188.70	J/mol×K	353.78	Calculated Property
Cp,gas	227.62	J/mol×K	434.56	Calculated Property
Cp,gas	261.69	J/mol×K	515.33	Calculated Property
Cp,gas	291.31	J/mol×K	596.11	Calculated Property
Cp,gas	316.88	J/mol×K	676.89	Calculated Property
Cp,gas	338.82	J/mol×K	757.67	Calculated Property
Cp,gas	357.53	J/mol×K	838.44	Calculated Property
Cp,gas	373.43	J/mol×K	919.22	Calculated Property
Cp,gas	386.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016828; 0.0002609]	Pa×s	[365.42; 546.27]	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			-1.20181e+01
Coefficient B			2.05760e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			365.42
Temperature range, max.			546.27
η	0.0016828	Pa×s	365.42	Calculated Property
η	0.0012548	Pa×s	385.51	Calculated Property
η	0.0009633	Pa×s	405.61	Calculated Property
η	0.0007581	Pa×s	425.70	Calculated Property
η	0.0006097	Pa×s	445.80	Calculated Property
η	0.0004997	Pa×s	465.89	Calculated Property
η	0.0004163	Pa×s	485.99	Calculated Property
η	0.0003519	Pa×s	506.08	Calculated Property
η	0.0003012	Pa×s	526.18	Calculated Property
η	0.0002609	Pa×s	546.27	Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexenylacetic acid.

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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