Chemical Properties of cis-5-Dodecenoic acid (CAS 2430-94-6)

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-

InChI Key

IJBFSOLHRKELLR-FPLPWBNLSA-N

Formula

C12H22O2

SMILES

CCCCCCC=CCCCC(=O)O

Molecular Weight¹

198.30

CAS

2430-94-6

• ω : Acentric Factor.
• 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).
• 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).
• P_vap : Vapor 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	0.8179		Relay (1.0) Calculated Property
ΔfG°	-135.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.73	kJ/mol	Joback Calculated Property
ΔvapH°	97.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[1560.10; 1561.80]
Inp	1560.10		NIST
Inp	1561.80		NIST
Inp	1560.10		NIST
Tboil	558.98	K	Relay (1.0) Calculated Property
Tc	741.26	K	Relay (1.0) Calculated Property
Tfus	281.14	K	Relay (1.0) Calculated Property
Vc	0.670	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[482.07; 553.04]	J/mol×K	[624.17; 795.47]
Cp,gas	482.07	J/mol×K	624.17	Joback Calculated Property
Cp,gas	495.33	J/mol×K	652.72	Joback Calculated Property
Cp,gas	507.99	J/mol×K	681.27	Joback Calculated Property
Cp,gas	520.06	J/mol×K	709.82	Joback Calculated Property
Cp,gas	531.58	J/mol×K	738.37	Joback Calculated Property
Cp,gas	542.56	J/mol×K	766.92	Joback Calculated Property
Cp,gas	553.04	J/mol×K	795.47	Joback Calculated Property
η	[0.0000616; 0.0075567]	Pa×s	[330.67; 624.17]
η	0.0075567	Pa×s	330.67	Joback Calculated Property
η	0.0020223	Pa×s	379.59	Joback Calculated Property
η	0.0007313	Pa×s	428.50	Joback Calculated Property
η	0.0003257	Pa×s	477.42	Joback Calculated Property
η	0.0001686	Pa×s	526.34	Joback Calculated Property
η	0.0000976	Pa×s	575.25	Joback Calculated Property
η	0.0000616	Pa×s	624.17	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[437.32; 634.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39339e+01
Coefficient B			-4.61171e+03
Coefficient C			-9.93740e+01
Temperature range, min.			437.32
Temperature range, max.			634.23
Pvap	1.33	kPa	437.32	Calculated Property
Pvap	3.06	kPa	459.20	Calculated Property
Pvap	6.37	kPa	481.08	Calculated Property
Pvap	12.27	kPa	502.96	Calculated Property
Pvap	22.08	kPa	524.84	Calculated Property
Pvap	37.51	kPa	546.71	Calculated Property
Pvap	60.67	kPa	568.59	Calculated Property
Pvap	94.00	kPa	590.47	Calculated Property
Pvap	140.30	kPa	612.35	Calculated Property
Pvap	202.66	kPa	634.23	Calculated Property

Similar Compounds

Find more compounds similar to cis-5-Dodecenoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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