Chemical Properties of 5-Bromovaleric acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C10H13BrO2/c1-2-3-6-9-13-10(12)7-4-5-8-11/h1,3,6H,4-5,7-9H2/b6-3+

InChI Key

SYYDKPSDGIKBFF-ZZXKWVIFSA-N

Formula

C10H13BrO2

SMILES

C#CC=CCOC(=O)CCCCBr

Molecular Weight¹

245.11

• 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°	117.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.08	kJ/mol	Joback Calculated Property
ΔfusH°	32.90	kJ/mol	Joback Calculated Property
ΔvapH°	53.26	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	2.284		Crippen Calculated Property
McVol	163.800	ml/mol	McGowan Calculated Property
Pc	2881.21	kPa	Joback Calculated Property
Inp	[1588.90; 1588.90]
Inp	1588.90		NIST
Inp	1588.90		NIST
Tboil	564.93	K	Joback Calculated Property
Tc	770.65	K	Joback Calculated Property
Tfus	376.31	K	Joback Calculated Property
Vc	0.624	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.66; 415.86]	J/mol×K	[564.93; 770.65]
Cp,gas	354.66	J/mol×K	564.93	Joback Calculated Property
Cp,gas	366.41	J/mol×K	599.22	Joback Calculated Property
Cp,gas	377.49	J/mol×K	633.50	Joback Calculated Property
Cp,gas	387.94	J/mol×K	667.79	Joback Calculated Property
Cp,gas	397.80	J/mol×K	702.08	Joback Calculated Property
Cp,gas	407.09	J/mol×K	736.37	Joback Calculated Property
Cp,gas	415.86	J/mol×K	770.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, pent-2-en-4-ynyl ester.

Sources

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

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