Chemical Properties of Methyl cis-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-/m1/s1

InChI Key

ABRJMTSLLBQAHF-RKDXNWHRSA-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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-56.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-283.96	kJ/mol	Joback Calculated Property
ΔfusH°	19.06	kJ/mol	Joback Calculated Property
ΔvapH°	50.82	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	2.072		Crippen Calculated Property
McVol	142.970	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[1390.00; 1390.00]
Inp	1390.00		NIST
Inp	1390.00		NIST
I	1933.00		NIST
Tboil	556.96	K	Joback Calculated Property
Tc	779.82	K	Joback Calculated Property
Tfus	325.25	K	Joback Calculated Property
Vc	0.537	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.51; 438.51]	J/mol×K	[556.96; 779.82]
Cp,gas	352.51	J/mol×K	556.96	Joback Calculated Property
Cp,gas	369.38	J/mol×K	594.10	Joback Calculated Property
Cp,gas	385.17	J/mol×K	631.25	Joback Calculated Property
Cp,gas	399.93	J/mol×K	668.39	Joback Calculated Property
Cp,gas	413.72	J/mol×K	705.53	Joback Calculated Property
Cp,gas	426.56	J/mol×K	742.68	Joback Calculated Property
Cp,gas	438.51	J/mol×K	779.82	Joback Calculated Property
η	[0.0004903; 0.0019518]	Pa×s	[325.25; 556.96]
η	0.0019518	Pa×s	325.25	Joback Calculated Property
η	0.0013720	Pa×s	363.87	Joback Calculated Property
η	0.0010320	Pa×s	402.49	Joback Calculated Property
η	0.0008159	Pa×s	441.11	Joback Calculated Property
η	0.0006699	Pa×s	479.72	Joback Calculated Property
η	0.0005665	Pa×s	518.34	Joback Calculated Property
η	0.0004903	Pa×s	556.96	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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