Chemical Properties of Methyl trans-2,3,3a,7a-tetrahydro-1H-indene-4-carboxylate

InChI

InChI=1S/C11H14O2/c1-13-11(12)10-7-3-5-8-4-2-6-9(8)10/h3,5,7-9H,2,4,6H2,1H3/t8-,9+/m0/s1

InChI Key

ABRJMTSLLBQAHF-DTWKUNHWSA-N

Formula

C11H14O2

SMILES

COC(=O)C1=CC=CC2CCCC12

Molecular Weight¹

178.23

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.64	kJ/mol	Joback Calculated Property
logPoct/wat	2.072		Crippen Calculated Property
McVol	142.970	ml/mol	McGowan Calculated Property
Inp	[1368.00; 1368.00]
Inp	1368.00		NIST
Inp	1368.00		NIST
I	1910.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[183.21; 494.11]	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			-6.76900e+01
Coefficient B			1.09552e+00
Coefficient C			-6.88720e-04
Coefficient D			1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.21	J/mol×K	273.00	Calculated Property
Cp,gas	240.54	J/mol×K	353.78	Calculated Property
Cp,gas	291.04	J/mol×K	434.56	Calculated Property
Cp,gas	335.18	J/mol×K	515.33	Calculated Property
Cp,gas	373.46	J/mol×K	596.11	Calculated Property
Cp,gas	406.37	J/mol×K	676.89	Calculated Property
Cp,gas	434.40	J/mol×K	757.67	Calculated Property
Cp,gas	458.04	J/mol×K	838.44	Calculated Property
Cp,gas	477.78	J/mol×K	919.22	Calculated Property
Cp,gas	494.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023319; 0.0004449]	Pa×s	[295.42; 531.59]	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			-9.78992e+00
Coefficient B			1.10157e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			295.42
Temperature range, max.			531.59
η	0.0023319	Pa×s	295.42	Calculated Property
η	0.0017202	Pa×s	321.66	Calculated Property
η	0.0013286	Pa×s	347.90	Calculated Property
η	0.0010641	Pa×s	374.14	Calculated Property
η	0.0008773	Pa×s	400.38	Calculated Property
η	0.0007407	Pa×s	426.63	Calculated Property
η	0.0006378	Pa×s	452.87	Calculated Property
η	0.0005582	Pa×s	479.11	Calculated Property
η	0.0004954	Pa×s	505.35	Calculated Property
η	0.0004449	Pa×s	531.59	Calculated Property

Similar Compounds

Find more compounds similar to Methyl trans-2,3,3a,7a-tetrahydro-1H-indene-4-carboxylate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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