Chemical Properties of cis-(2,3,3a,7a-Tetrahydro-1H-indene-4-carbaldehyde

InChI

InChI=1S/C10H12O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,7-8,10H,2,4,6H2/t8-,10+/m1/s1

InChI Key

NRPGDWVRKOJMEE-SCZZXKLOSA-N

Formula

C10H12O

SMILES

O=CC1=CC=CC2CCCC12

Molecular Weight¹

148.20

• 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°	15.97	kJ/mol	Joback Calculated Property
logPoct/wat	2.098		Crippen Calculated Property
McVol	123.010	ml/mol	McGowan Calculated Property
Inp	1270.00		NIST
I	[1876.00; 1876.00]
I	1876.00		NIST
I	1876.00		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	[150.57; 425.19]	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			-8.07900e+01
Coefficient B			1.02980e+00
Coefficient C			-7.21920e-04
Coefficient D			1.98100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.57	J/mol×K	273.00	Calculated Property
Cp,gas	201.95	J/mol×K	353.78	Calculated Property
Cp,gas	246.65	J/mol×K	434.56	Calculated Property
Cp,gas	285.29	J/mol×K	515.33	Calculated Property
Cp,gas	318.52	J/mol×K	596.11	Calculated Property
Cp,gas	346.94	J/mol×K	676.89	Calculated Property
Cp,gas	371.19	J/mol×K	757.67	Calculated Property
Cp,gas	391.90	J/mol×K	838.44	Calculated Property
Cp,gas	409.69	J/mol×K	919.22	Calculated Property
Cp,gas	425.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021391; 0.0006003]	Pa×s	[283.82; 511.48]	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			-9.00240e+00
Coefficient B			8.10320e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			283.82
Temperature range, max.			511.48
η	0.0021391	Pa×s	283.82	Calculated Property
η	0.0016935	Pa×s	309.12	Calculated Property
η	0.0013889	Pa×s	334.41	Calculated Property
η	0.0011713	Pa×s	359.71	Calculated Property
η	0.0010101	Pa×s	385.00	Calculated Property
η	0.0008872	Pa×s	410.30	Calculated Property
η	0.0007911	Pa×s	435.59	Calculated Property
η	0.0007143	Pa×s	460.89	Calculated Property
η	0.0006518	Pa×s	486.18	Calculated Property
η	0.0006003	Pa×s	511.48	Calculated Property

Similar Compounds

Find more compounds similar to cis-(2,3,3a,7a-Tetrahydro-1H-indene-4-carbaldehyde.

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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