Chemical Properties of Pro, isopropyl ester

InChI

InChI=1S/C8H15NO2/c1-6(2)11-8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3

InChI Key

NAHHGJMBRWRITI-UHFFFAOYSA-N

Formula

C8H15NO2

SMILES

CC(C)OC(=O)C1CCCN1

Molecular Weight¹

157.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	-95.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.24	kJ/mol	Joback Calculated Property
ΔfusH°	19.27	kJ/mol	Joback Calculated Property
ΔvapH°	49.19	kJ/mol	Joback Calculated Property
log10WS	-1.34		Crippen Calculated Property
logPoct/wat	0.690		Crippen Calculated Property
McVol	130.140	ml/mol	McGowan Calculated Property
Pc	3352.86	kPa	Joback Calculated Property
Inp	[1330.00; 1344.00]
Inp	1344.00		NIST
Inp	1336.00		NIST
Inp	1340.00		NIST
Inp	1330.00		NIST
Inp	1330.00		NIST
Tboil	522.12	K	Joback Calculated Property
Tc	736.12	K	Joback Calculated Property
Tfus	353.01	K	Joback Calculated Property
Vc	0.479	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.14; 389.70]	J/mol×K	[522.12; 736.12]
Cp,gas	307.14	J/mol×K	522.12	Joback Calculated Property
Cp,gas	322.83	J/mol×K	557.79	Joback Calculated Property
Cp,gas	337.74	J/mol×K	593.45	Joback Calculated Property
Cp,gas	351.88	J/mol×K	629.12	Joback Calculated Property
Cp,gas	365.24	J/mol×K	664.79	Joback Calculated Property
Cp,gas	377.85	J/mol×K	700.45	Joback Calculated Property
Cp,gas	389.70	J/mol×K	736.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pro, isopropyl ester.

Sources

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

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