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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.02; 434.96]	J/mol×K	[539.09; 759.41]
Cp,gas	347.02	J/mol×K	539.09	Joback Calculated Property
Cp,gas	364.36	J/mol×K	575.81	Joback Calculated Property
Cp,gas	380.57	J/mol×K	612.53	Joback Calculated Property
Cp,gas	395.68	J/mol×K	649.25	Joback Calculated Property
Cp,gas	409.76	J/mol×K	685.97	Joback Calculated Property
Cp,gas	422.83	J/mol×K	722.69	Joback Calculated Property
Cp,gas	434.96	J/mol×K	759.41	Joback Calculated Property
η	[0.0004322; 0.0023319]	Pa×s	[295.42; 539.09]
η	0.0023319	Pa×s	295.42	Joback Calculated Property
η	0.0014859	Pa×s	336.03	Joback Calculated Property
η	0.0010435	Pa×s	376.64	Joback Calculated Property
η	0.0007850	Pa×s	417.25	Joback Calculated Property
η	0.0006211	Pa×s	457.87	Joback Calculated Property
η	0.0005105	Pa×s	498.48	Joback Calculated Property
η	0.0004322	Pa×s	539.09	Joback 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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