Chemical Properties of dihydro-nor-dicyclopentadienyl propionate

InChI

InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3

InChI Key

BLBJUGKATXCWET-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CCC(=O)OC1CC2CC1C1CC=CC21

Molecular Weight¹

206.29

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.46	kJ/mol	Joback Calculated Property
logPoct/wat	2.540		Crippen Calculated Property
McVol	164.590	ml/mol	McGowan Calculated Property
Inp	[1498.60; 1499.00]
Inp	1499.00		NIST
Inp	1499.00		NIST
Inp	1498.60		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	[220.43; 621.13]	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			-1.19709e+02
Coefficient B			1.51812e+00
Coefficient C			-1.07948e-03
Coefficient D			3.02200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.43	J/mol×K	273.00	Calculated Property
Cp,gas	295.64	J/mol×K	353.78	Calculated Property
Cp,gas	360.95	J/mol×K	434.56	Calculated Property
Cp,gas	417.31	J/mol×K	515.33	Calculated Property
Cp,gas	465.68	J/mol×K	596.11	Calculated Property
Cp,gas	507.02	J/mol×K	676.89	Calculated Property
Cp,gas	542.28	J/mol×K	757.67	Calculated Property
Cp,gas	572.41	J/mol×K	838.44	Calculated Property
Cp,gas	598.38	J/mol×K	919.22	Calculated Property
Cp,gas	621.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018308; 0.0018333]	Pa×s	[321.18; 545.89]	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			-6.29974e+00
Coefficient B			-1.05000e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			321.18
Temperature range, max.			545.89
η	0.0018308	Pa×s	321.18	Calculated Property
η	0.0018312	Pa×s	346.15	Calculated Property
η	0.0018316	Pa×s	371.11	Calculated Property
η	0.0018319	Pa×s	396.08	Calculated Property
η	0.0018322	Pa×s	421.05	Calculated Property
η	0.0018325	Pa×s	446.02	Calculated Property
η	0.0018327	Pa×s	470.98	Calculated Property
η	0.0018329	Pa×s	495.95	Calculated Property
η	0.0018331	Pa×s	520.92	Calculated Property
η	0.0018333	Pa×s	545.89	Calculated Property

Similar Compounds

Find more compounds similar to dihydro-nor-dicyclopentadienyl propionate.

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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