Chemical Properties of Butanoic acid, 3-chloro, 3-methylbutyl ester (CAS 62108-79-6)

InChI

InChI=1S/C9H17ClO2/c1-7(2)4-5-12-9(11)6-8(3)10/h7-8H,4-6H2,1-3H3

InChI Key

MRDAYXFMDDPCQA-UHFFFAOYSA-N

Formula

C9H17ClO2

SMILES

CC(C)CCOC(=O)CC(C)Cl

Molecular Weight¹

192.68

CAS

62108-79-6

Other Names

• 3-Methylbutyl 3-chlorobutyrate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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.
• 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
ΔcH°liquid	[-5350.50; -5340.50]	kJ/mol
ΔcH°liquid	-5350.50 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-5340.50	kJ/mol	NIST
ΔfG°	-225.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.90 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-644.30 ± 8.40	kJ/mol	NIST
ΔfusH°	19.00	kJ/mol	Joback Calculated Property
ΔvapH°	54.40 ± 4.20	kJ/mol	NIST
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.593		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2363.37	kPa	Joback Calculated Property
Inp	[1181.00; 1204.00]
Inp	1184.00		NIST
Inp	1181.00		NIST
Inp	1204.00		NIST
Inp	1193.00		NIST
Inp	1189.00		NIST
Inp	1184.00		NIST
I	[1564.00; 1586.00]
I	1572.00		NIST
I	1586.00		NIST
I	1564.00		NIST
I	1565.00		NIST
I	1572.00		NIST
Tboil	518.16	K	Joback Calculated Property
Tc	704.64	K	Joback Calculated Property
Tfus	263.27	K	Joback Calculated Property
Vc	0.601	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.64; 424.95]	J/mol×K	[518.16; 704.64]
Cp,gas	352.64	J/mol×K	518.16	Joback Calculated Property
Cp,gas	366.10	J/mol×K	549.24	Joback Calculated Property
Cp,gas	378.99	J/mol×K	580.32	Joback Calculated Property
Cp,gas	391.31	J/mol×K	611.40	Joback Calculated Property
Cp,gas	403.08	J/mol×K	642.48	Joback Calculated Property
Cp,gas	414.29	J/mol×K	673.56	Joback Calculated Property
Cp,gas	424.95	J/mol×K	704.64	Joback Calculated Property
η	[0.0002141; 0.0058815]	Pa×s	[263.27; 518.16]
η	0.0058815	Pa×s	263.27	Joback Calculated Property
η	0.0023072	Pa×s	305.75	Joback Calculated Property
η	0.0011372	Pa×s	348.23	Joback Calculated Property
η	0.0006537	Pa×s	390.72	Joback Calculated Property
η	0.0004189	Pa×s	433.20	Joback Calculated Property
η	0.0002907	Pa×s	475.68	Joback Calculated Property
η	0.0002141	Pa×s	518.16	Joback Calculated Property

Similar Compounds

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

Sources

• 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.