Chemical Properties of Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo- (CAS 7779-73-9)

InChI

InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3

InChI Key

MPYYVGIJHREDBO-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

238.37

CAS

7779-73-9

Other Names

• Isobornyl 3-methylbutanoate
• exo-bornyl isovalerate
• Bornyl 2-methylbutyrate

• 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.
• I : 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	0.5158		Relay (... Calculated Property
ΔfG°	-77.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-536.09	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.59	kJ/mol	Joback Calculated Property
ΔvapH°	69.56	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-3.96		Relay (... Calculated Property
logPoct/wat	3.790		Crippen Calculated Property
McVol	207.930	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[1494.00; 1525.40]
Inp	1494.00		NIST
Inp	1494.00		NIST
Inp	1525.40		NIST
Inp	1520.00		NIST
Inp	1494.00		NIST
Inp	1520.00		NIST
Inp	1525.40		NIST
I	[1729.00; 1729.00]
I	1729.00		NIST
I	1729.00		NIST
I	1729.00		NIST
Tboil	507.07	K	Relay (... Calculated Property
Tc	774.59	K	Relay (... Calculated Property
Tfus	351.11	K	Relay (... Calculated Property
Vc	0.746	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.55; 704.76]	J/mol×K	[627.34; 836.82]
Cp,gas	593.55	J/mol×K	627.34	Joback Calculated Property
Cp,gas	613.85	J/mol×K	662.25	Joback Calculated Property
Cp,gas	633.16	J/mol×K	697.17	Joback Calculated Property
Cp,gas	651.71	J/mol×K	732.08	Joback Calculated Property
Cp,gas	669.68	J/mol×K	766.99	Joback Calculated Property
Cp,gas	687.30	J/mol×K	801.90	Joback Calculated Property
Cp,gas	704.76	J/mol×K	836.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-.

Sources

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

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