Chemical Properties of Geranic acid (CAS 4698-08-2)

InChI

InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+

InChI Key

ZHYZQXUYZJNEHD-VQHVLOKHSA-N

Formula

C10H16O2

SMILES

CC(C)=CCCC(C)=CC(=O)O

Molecular Weight¹

168.23

CAS

4698-08-2

Other Names

• Geranoic acid
• trans-geranic acid
• trans-geranic acid (trans-3,7-dimethyl-2,6-octadien-1-oic acid)
• Geranilyc acid
• trans-geranoic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ω	0.6713		Relay (1.0) Calculated Property
ΔfG°	-89.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.13	kJ/mol	Joback Calculated Property
ΔvapH°	79.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	150.600	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[1344.00; 1395.00]
Inp	1362.00		NIST
Inp	1353.00		NIST
Inp	Outlier 1395.00		NIST
Inp	1355.00		NIST
Inp	1358.00		NIST
Inp	1372.30		NIST
Inp	1355.00		NIST
Inp	1375.00		NIST
Inp	1344.00		NIST
Inp	1359.00		NIST
Inp	1362.00		NIST
Inp	1355.00		NIST
Inp	1354.00		NIST
Inp	1348.00		NIST
Inp	1347.00		NIST
Inp	1353.00		NIST
I	[2287.00; 2355.00]
I	2315.00		NIST
I	2287.00		NIST
I	2355.00		NIST
I	2353.00		NIST
I	2329.00		NIST
I	2331.00		NIST
I	2340.00		NIST
I	2328.00		NIST
I	2311.00		NIST
I	2353.00		NIST
I	2329.00		NIST
I	2340.00		NIST
I	2292.00		NIST
I	2320.00		NIST
I	2294.00		NIST
I	2294.00		NIST
I	2337.00		NIST
I	2319.00		NIST
I	2328.00		NIST
I	2343.00		NIST
Tboil	530.88	K	Relay (1.0) Calculated Property
Tc	707.29	K	Relay (1.0) Calculated Property
Tfus	294.80	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.94; 424.77]	J/mol×K	[582.33; 767.56]
Cp,gas	362.94	J/mol×K	582.33	Joback Calculated Property
Cp,gas	374.66	J/mol×K	613.20	Joback Calculated Property
Cp,gas	385.77	J/mol×K	644.07	Joback Calculated Property
Cp,gas	396.30	J/mol×K	674.94	Joback Calculated Property
Cp,gas	406.28	J/mol×K	705.82	Joback Calculated Property
Cp,gas	415.76	J/mol×K	736.69	Joback Calculated Property
Cp,gas	424.77	J/mol×K	767.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Geranic acid.

Sources

• Cheméo Relay (1.0)
• 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.