Chemical Properties of Hexyl isovalerate (CAS 10632-13-0)

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3

InChI Key

RSDDTPVXLMVLQE-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCCOC(=O)CC(C)C

Molecular Weight¹

186.29

CAS

10632-13-0

• 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_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
ΔfG°	-194.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.45	kJ/mol	Joback Calculated Property
ΔfusH°	23.51	kJ/mol	Joback Calculated Property
ΔvapH°	48.85	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.156		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[1211.00; 1247.00]
Inp	1243.00		NIST
Inp	1243.00		NIST
Inp	1245.00		NIST
Inp	Outlier 1211.00		NIST
Inp	1247.00		NIST
Inp	1243.00		NIST
Inp	1241.00		NIST
Inp	1228.00		NIST
Inp	1238.00		NIST
Inp	1228.00		NIST
Inp	1244.00		NIST
Inp	1242.00		NIST
Inp	1224.00		NIST
Inp	1240.00		NIST
Inp	1247.00		NIST
Inp	1228.00		NIST
Inp	1244.00		NIST
Inp	1240.00		NIST
Inp	1229.00		NIST
Inp	1243.00		NIST
Inp	1247.00		NIST
I	[1433.00; 1457.00]
I	1437.00		NIST
I	1457.00		NIST
I	1433.00		NIST
I	1433.00		NIST
Tboil	526.93	K	Joback Calculated Property
Tc	701.19	K	Joback Calculated Property
Tfus	270.89	K	Joback Calculated Property
Vc	0.669	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.48; 498.48]	J/mol×K	[526.93; 701.19]
Cp,gas	415.48	J/mol×K	526.93	Joback Calculated Property
Cp,gas	430.78	J/mol×K	555.97	Joback Calculated Property
Cp,gas	445.49	J/mol×K	585.02	Joback Calculated Property
Cp,gas	459.60	J/mol×K	614.06	Joback Calculated Property
Cp,gas	473.13	J/mol×K	643.11	Joback Calculated Property
Cp,gas	486.09	J/mol×K	672.15	Joback Calculated Property
Cp,gas	498.48	J/mol×K	701.19	Joback Calculated Property
η	[0.0001937; 0.0044896]	Pa×s	[270.89; 526.93]
η	0.0044896	Pa×s	270.89	Joback Calculated Property
η	0.0018616	Pa×s	313.56	Joback Calculated Property
η	0.0009531	Pa×s	356.24	Joback Calculated Property
η	0.0005632	Pa×s	398.91	Joback Calculated Property
η	0.0003684	Pa×s	441.58	Joback Calculated Property
η	0.0002597	Pa×s	484.26	Joback Calculated Property
η	0.0001937	Pa×s	526.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexyl isovalerate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.