Chemical Properties of 10-Undecenoic acid, butyl ester (CAS 109-42-2)

InChI

InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3

InChI Key

GRAORJFMGCQWRN-UHFFFAOYSA-N

Formula

C15H28O2

SMILES

C=CCCCCCCCCC(=O)OCCCC

Molecular Weight¹

240.38

CAS

109-42-2

Other Names

• Butyl 10-undecenoate
• Butyl 10-undecylenate
• Butyl undecylenate
• butyl undec-10-enoate
• n-Butyl 10-undecenoate

• 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).
• P_vap : Vapor 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°	-70.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-472.30	kJ/mol	Joback Calculated Property
ΔfusH°	36.11	kJ/mol	Joback Calculated Property
ΔvapH°	57.47	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	4.636		Crippen Calculated Property
McVol	225.350	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
I	[1954.00; 1972.00]
I	1972.00		NIST
I	1954.00		NIST
I	1954.00		NIST
I	1972.00		NIST
Tboil	615.57	K	Joback Calculated Property
Tc	785.30	K	Joback Calculated Property
Tfus	329.21	K	Joback Calculated Property
Vc	0.880	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.68; 689.70]	J/mol×K	[615.57; 785.30]
Cp,gas	598.68	J/mol×K	615.57	Joback Calculated Property
Cp,gas	615.61	J/mol×K	643.86	Joback Calculated Property
Cp,gas	631.81	J/mol×K	672.15	Joback Calculated Property
Cp,gas	647.30	J/mol×K	700.44	Joback Calculated Property
Cp,gas	662.10	J/mol×K	728.72	Joback Calculated Property
Cp,gas	676.23	J/mol×K	757.01	Joback Calculated Property
Cp,gas	689.70	J/mol×K	785.30	Joback Calculated Property
η	[0.0001429; 0.0025018]	Pa×s	[329.21; 615.57]
η	0.0025018	Pa×s	329.21	Joback Calculated Property
η	0.0011478	Pa×s	376.94	Joback Calculated Property
η	0.0006273	Pa×s	424.66	Joback Calculated Property
η	0.0003874	Pa×s	472.39	Joback Calculated Property
η	0.0002614	Pa×s	520.12	Joback Calculated Property
η	0.0001884	Pa×s	567.84	Joback Calculated Property
η	0.0001429	Pa×s	615.57	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[417.66; 603.67]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40739e+01
Coefficient B			-4.47262e+03
Coefficient C			-9.32380e+01
Temperature range, min.			417.66
Temperature range, max.			603.67
Pvap	1.33	kPa	417.66	Calculated Property
Pvap	3.04	kPa	438.33	Calculated Property
Pvap	6.33	kPa	459.00	Calculated Property
Pvap	12.18	kPa	479.66	Calculated Property
Pvap	21.91	kPa	500.33	Calculated Property
Pvap	37.26	kPa	521.00	Calculated Property
Pvap	60.33	kPa	541.67	Calculated Property
Pvap	93.63	kPa	562.33	Calculated Property
Pvap	140.00	kPa	583.00	Calculated Property
Pvap	202.64	kPa	603.67	Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenoic acid, butyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.