Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, allyl propyl ester

InChI

InChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3,11-12H,1,4-10H2,2H3

InChI Key

NRNACEABKBLQSA-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

C=CCOC(=O)C1CCCCC1C(=O)OCCC

Molecular Weight¹

254.32

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.22	kJ/mol	Joback Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
logPoct/wat	2.475		Crippen Calculated Property
McVol	207.840	ml/mol	McGowan Calculated Property
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	572.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[594.40; 685.45]	J/mol×K	[683.86; 886.72]
Cp,gas	594.40	J/mol×K	683.86	Joback Calculated Property
Cp,gas	612.24	J/mol×K	717.67	Joback Calculated Property
Cp,gas	629.01	J/mol×K	751.48	Joback Calculated Property
Cp,gas	644.70	J/mol×K	785.29	Joback Calculated Property
Cp,gas	659.34	J/mol×K	819.10	Joback Calculated Property
Cp,gas	672.92	J/mol×K	852.91	Joback Calculated Property
Cp,gas	685.45	J/mol×K	886.72	Joback Calculated Property
η	[0.0001601; 0.0016830]	Pa×s	[393.24; 683.86]
η	0.0016830	Pa×s	393.24	Joback Calculated Property
η	0.0009172	Pa×s	441.68	Joback Calculated Property
η	0.0005636	Pa×s	490.11	Joback Calculated Property
η	0.0003780	Pa×s	538.55	Joback Calculated Property
η	0.0002708	Pa×s	586.99	Joback Calculated Property
η	0.0002041	Pa×s	635.42	Joback Calculated Property
η	0.0001601	Pa×s	683.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl propyl ester.

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.