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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-440.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.58	kJ/mol	Joback Calculated Property
ΔvapH°	79.62	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	2563.69	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	716.45	K	Relay (1.0) Calculated Property
Tfus	284.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.57; 432.35]	J/mol×K	[581.99; 784.70]
Cp,gas	365.57	J/mol×K	581.99	Joback Calculated Property
Cp,gas	378.42	J/mol×K	615.77	Joback Calculated Property
Cp,gas	390.50	J/mol×K	649.56	Joback Calculated Property
Cp,gas	401.89	J/mol×K	683.34	Joback Calculated Property
Cp,gas	412.62	J/mol×K	717.13	Joback Calculated Property
Cp,gas	422.75	J/mol×K	750.91	Joback Calculated Property
Cp,gas	432.35	J/mol×K	784.70	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.
These property values are available through the Cheméo API. A free account gives you an access key.