Chemical Properties of Tridecanoic acid, 12-methyl (CAS 2724-57-4)

InChI

InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)

InChI Key

YYVJAABUJYRQJO-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CC(C)CCCCCCCCCCC(=O)O

Molecular Weight¹

228.37

CAS

2724-57-4

Other Names

• 12-METHYL TRICADENOIC ACID
• 12-methyltridecanoic acid

• 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 : 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°	-201.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.38	kJ/mol	Joback Calculated Property
ΔfusH°	34.18	kJ/mol	Joback Calculated Property
ΔvapH°	69.80	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	4.628		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
I	[2657.00; 2657.00]
I	2657.00		NIST
I	2657.00		NIST
Tboil	665.33	K	Joback Calculated Property
Tc	833.65	K	Joback Calculated Property
Tfus	328.00 ± 2.00	K	NIST
Vc	0.839	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.14; 690.08]	J/mol×K	[665.33; 833.65]
Cp,gas	609.14	J/mol×K	665.33	Joback Calculated Property
Cp,gas	624.25	J/mol×K	693.38	Joback Calculated Property
Cp,gas	638.69	J/mol×K	721.44	Joback Calculated Property
Cp,gas	652.47	J/mol×K	749.49	Joback Calculated Property
Cp,gas	665.61	J/mol×K	777.54	Joback Calculated Property
Cp,gas	678.14	J/mol×K	805.60	Joback Calculated Property
Cp,gas	690.08	J/mol×K	833.65	Joback Calculated Property
η	[0.0000473; 0.0079212]	Pa×s	[343.29; 665.33]
η	0.0079212	Pa×s	343.29	Joback Calculated Property
η	0.0018944	Pa×s	396.96	Joback Calculated Property
η	0.0006370	Pa×s	450.64	Joback Calculated Property
η	0.0002702	Pa×s	504.31	Joback Calculated Property
η	0.0001351	Pa×s	557.98	Joback Calculated Property
η	0.0000763	Pa×s	611.66	Joback Calculated Property
η	0.0000473	Pa×s	665.33	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[458.12; 626.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58185e+01
Coefficient B			-5.45940e+03
Coefficient C			-1.06602e+02
Temperature range, min.			458.12
Temperature range, max.			626.20
Pvap	1.33	kPa	458.12	Calculated Property
Pvap	2.92	kPa	476.80	Calculated Property
Pvap	5.93	kPa	495.47	Calculated Property
Pvap	11.28	kPa	514.15	Calculated Property
Pvap	20.28	kPa	532.82	Calculated Property
Pvap	34.72	kPa	551.50	Calculated Property
Pvap	56.92	kPa	570.17	Calculated Property
Pvap	89.81	kPa	588.85	Calculated Property
Pvap	136.98	kPa	607.52	Calculated Property
Pvap	202.66	kPa	626.20	Calculated Property

Similar Compounds

Find more compounds similar to Tridecanoic acid, 12-methyl.

Sources

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

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