Chemical Properties of isobornyl propanoate

InChI

InChI=1S/C12H20O2/c1-4-11(13)14-10-7-8-5-6-9(10)12(8,2)3/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1

InChI Key

ZMTXIFSFOZCIJW-UDNWOFFPSA-N

Formula

C12H20O2

SMILES

CCC(=O)OC1CC2CCC1C2(C)C

Molecular Weight¹

196.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4525		Relay (1.0) Calculated Property
ΔfG°	-95.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.64	kJ/mol	Joback Calculated Property
ΔvapH°	64.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[1349.00; 1382.00]
Inp	1349.00		NIST
Inp	1366.00		NIST
Inp	1382.00		NIST
Inp	1361.00		NIST
Inp	1361.00		NIST
Inp	1349.00		NIST
Inp	1382.00		NIST
Tboil	499.95	K	Relay (1.0) Calculated Property
Tc	741.31	K	Relay (1.0) Calculated Property
Tfus	323.18	K	Relay (1.0) Calculated Property
Vc	0.588	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.95; 537.62]	J/mol×K	[558.90; 766.28]
Cp,gas	438.95	J/mol×K	558.90	Joback Calculated Property
Cp,gas	457.77	J/mol×K	593.46	Joback Calculated Property
Cp,gas	475.48	J/mol×K	628.03	Joback Calculated Property
Cp,gas	492.21	J/mol×K	662.59	Joback Calculated Property
Cp,gas	508.06	J/mol×K	697.15	Joback Calculated Property
Cp,gas	523.16	J/mol×K	731.72	Joback Calculated Property
Cp,gas	537.62	J/mol×K	766.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to isobornyl propanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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