Chemical Properties of Butanoic acid, 3-chloro, heptyl ester

InChI

InChI=1S/C11H21ClO2/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h10H,3-9H2,1-2H3

InChI Key

IVSMBZGOSOEERU-UHFFFAOYSA-N

Formula

C11H21ClO2

SMILES

CCCCCCCOC(=O)CC(C)Cl

Molecular Weight¹

220.74

Other Names

• Heptyl 3-chlorobutanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6545		Relay (1.0) Calculated Property
ΔfH°gas	-628.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.29	kJ/mol	Joback Calculated Property
ΔvapH°	64.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	3.517		Crippen Calculated Property
McVol	185.530	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[1425.00; 1446.00]
Inp	1443.00		NIST
Inp	1446.00		NIST
Inp	1429.00		NIST
Inp	1428.00		NIST
Inp	1428.00		NIST
Inp	1436.00		NIST
Inp	1425.00		NIST
Inp	1443.00		NIST
Inp	1436.00		NIST
Tboil	506.85	K	Relay (1.0) Calculated Property
Tc	705.51	K	Relay (1.0) Calculated Property
Tfus	243.43	K	Relay (1.0) Calculated Property
Vc	0.697	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.88; 521.03]	J/mol×K	[546.49; 723.06]
Cp,gas	440.88	J/mol×K	546.49	Joback Calculated Property
Cp,gas	455.85	J/mol×K	575.92	Joback Calculated Property
Cp,gas	470.16	J/mol×K	605.35	Joback Calculated Property
Cp,gas	483.83	J/mol×K	634.78	Joback Calculated Property
Cp,gas	496.85	J/mol×K	664.21	Joback Calculated Property
Cp,gas	509.25	J/mol×K	693.64	Joback Calculated Property
Cp,gas	521.03	J/mol×K	723.06	Joback Calculated Property
η	[0.0001717; 0.0064020]	Pa×s	[270.98; 546.49]
η	0.0064020	Pa×s	270.98	Joback Calculated Property
η	0.0022627	Pa×s	316.90	Joback Calculated Property
η	0.0010405	Pa×s	362.82	Joback Calculated Property
η	0.0005698	Pa×s	408.74	Joback Calculated Property
η	0.0003523	Pa×s	454.65	Joback Calculated Property
η	0.0002380	Pa×s	500.57	Joback Calculated Property
η	0.0001717	Pa×s	546.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-chloro, heptyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
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