Chemical Properties of Carbonic acid, neopentyl 2-pentyl ester

InChI

InChI=1S/C11H22O3/c1-6-7-9(2)14-10(12)13-8-11(3,4)5/h9H,6-8H2,1-5H3

InChI Key

IPTUBJGOJROINE-UHFFFAOYSA-N

Formula

C11H22O3

SMILES

CCCC(C)OC(=O)OCC(C)(C)C

Molecular Weight¹

202.29

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	17.28	kJ/mol	Joback Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	3.374		Crippen Calculated Property
McVol	179.160	ml/mol	McGowan Calculated Property
Inp	[1190.00; 1190.00]
Inp	1190.00		NIST
Inp	1190.00		NIST
Tboil	467.23	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, Ionization energy 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	[445.55; 530.91]	J/mol×K	[546.12; 729.24]
Cp,gas	445.55	J/mol×K	546.12	Joback Calculated Property
Cp,gas	461.52	J/mol×K	576.64	Joback Calculated Property
Cp,gas	476.78	J/mol×K	607.16	Joback Calculated Property
Cp,gas	491.33	J/mol×K	637.68	Joback Calculated Property
Cp,gas	505.20	J/mol×K	668.20	Joback Calculated Property
Cp,gas	518.39	J/mol×K	698.72	Joback Calculated Property
Cp,gas	530.91	J/mol×K	729.24	Joback Calculated Property
η	[0.0001449; 0.0038637]	Pa×s	[295.54; 546.12]
η	0.0038637	Pa×s	295.54	Joback Calculated Property
η	0.0015930	Pa×s	337.30	Joback Calculated Property
η	0.0007983	Pa×s	379.07	Joback Calculated Property
η	0.0004589	Pa×s	420.83	Joback Calculated Property
η	0.0002915	Pa×s	462.59	Joback Calculated Property
η	0.0001996	Pa×s	504.36	Joback Calculated Property
η	0.0001449	Pa×s	546.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, neopentyl 2-pentyl 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.