Chemical Properties of (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene (CAS 1755-01-7)

InChI

InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2/t7-,8-,9-,10+/m1/s1

InChI Key

HECLRDQVFMWTQS-KYXWUPHJSA-N

Formula

C10H12

SMILES

C1=CC2C3C=CC(C3)C2C1

Molecular Weight¹

132.20

CAS

1755-01-7

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	188.70	J/mol×K	298.15	NIST
ΔfusH	[1.79; 2.22]	kJ/mol	[304.70; 304.80]
ΔfusH	1.79	kJ/mol	304.70	NIST
ΔfusH	2.22	kJ/mol	304.80	NIST
ΔvapH	43.60	kJ/mol	398.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.72; 420.29]	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			-1.40550e+02
Coefficient B			1.25840e+00
Coefficient C			-1.05356e-03
Coefficient D			3.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.72	J/mol×K	273.00	Calculated Property
Cp,gas	188.54	J/mol×K	353.78	Calculated Property
Cp,gas	236.56	J/mol×K	434.56	Calculated Property
Cp,gas	276.87	J/mol×K	515.33	Calculated Property
Cp,gas	310.63	J/mol×K	596.11	Calculated Property
Cp,gas	338.94	J/mol×K	676.89	Calculated Property
Cp,gas	362.93	J/mol×K	757.67	Calculated Property
Cp,gas	383.74	J/mol×K	838.44	Calculated Property
Cp,gas	402.48	J/mol×K	919.22	Calculated Property
Cp,gas	420.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004087; 0.0010723]	Pa×s	[250.04; 465.34]	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			-5.71764e+00
Coefficient B			-5.21320e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			250.04
Temperature range, max.			465.34
η	0.0004087	Pa×s	250.04	Calculated Property
η	0.0004903	Pa×s	273.96	Calculated Property
η	0.0005712	Pa×s	297.88	Calculated Property
η	0.0006506	Pa×s	321.81	Calculated Property
η	0.0007278	Pa×s	345.73	Calculated Property
η	0.0008024	Pa×s	369.65	Calculated Property
η	0.0008742	Pa×s	393.57	Calculated Property
η	0.0009431	Pa×s	417.49	Calculated Property
η	0.0010091	Pa×s	441.42	Calculated Property
η	0.0010723	Pa×s	465.34	Calculated Property

Similar Compounds

Find more compounds similar to (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene.

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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