Chemical Properties of Bicyclo[2.2.1]hept-2-en-7-ol (CAS 53783-87-2)

InChI

InChI=1S/C7H10O/c8-7-5-1-2-6(7)4-3-5/h1-2,5-8H,3-4H2

InChI Key

PSKWDFVNXXATCG-UHFFFAOYSA-N

Formula

C7H10O

SMILES

OC1C2C=CC1CC2

Molecular Weight¹

110.15

CAS

53783-87-2

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-108.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.44	kJ/mol	Joback Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
logPoct/wat	0.943		Crippen Calculated Property
McVol	89.340	ml/mol	McGowan Calculated Property
Inp	[1164.00; 1164.00]
Inp	1164.00		NIST
Inp	1164.00		NIST
I	[1709.00; 1709.00]
I	1709.00		NIST
I	1709.00		NIST
Tboil	443.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[110.49; 335.75]	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			-9.00700e+01
Coefficient B			9.12500e-01
Coefficient C			-7.13280e-04
Coefficient D			2.26600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.49	J/mol×K	273.00	Calculated Property
Cp,gas	153.51	J/mol×K	353.78	Calculated Property
Cp,gas	190.36	J/mol×K	434.56	Calculated Property
Cp,gas	221.76	J/mol×K	515.33	Calculated Property
Cp,gas	248.42	J/mol×K	596.11	Calculated Property
Cp,gas	271.06	J/mol×K	676.89	Calculated Property
Cp,gas	290.39	J/mol×K	757.67	Calculated Property
Cp,gas	307.14	J/mol×K	838.44	Calculated Property
Cp,gas	322.02	J/mol×K	919.22	Calculated Property
Cp,gas	335.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075063; 0.0005568]	Pa×s	[258.35; 461.34]	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			-1.08041e+01
Coefficient B			1.52739e+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.			258.35
Temperature range, max.			461.34
η	0.0075063	Pa×s	258.35	Calculated Property
η	0.0046695	Pa×s	280.90	Calculated Property
η	0.0031172	Pa×s	303.46	Calculated Property
η	0.0022006	Pa×s	326.01	Calculated Property
η	0.0016251	Pa×s	348.57	Calculated Property
η	0.0012452	Pa×s	371.12	Calculated Property
η	0.0009836	Pa×s	393.67	Calculated Property
η	0.0007971	Pa×s	416.23	Calculated Property
η	0.0006601	Pa×s	438.78	Calculated Property
η	0.0005568	Pa×s	461.34	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-2-en-7-ol.

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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